2-Aminopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one
Basic information
- CAS
159326-75-7- Standard SMILES
Nc1nn2cccc2c(=O)[nH]1- InChIKey
GOZHMTPUHBNEJV-UHFFFAOYSA-N- Molecular formula
- C6H6N4O
- Average molar mass
- 150.14 g/mol
- Monoisotopic mass
- 150.05416083
Names & identifiers
- Preferred name
- 2-Aminopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one
- IUPAC
- 2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
- English name
- Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 2-amino- (9CI)
- Molecular formula
- C6H6N4O
- Molecular weight
- 150.14
Names & synonyms
2-AMINOPYRROLO[2,1-F][1,2,4]TRIAZIN-4(3H)-ONE2-Aminopyrrolo(2,1-f)(1,2,4)triazin-4(3H)-oneRefChem:465213881-748-2159326-75-72-Aminopyrrolo[2,1-f][1,2,4]triazin-4(1H)-onePyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 2-amino- (9CI)2-amino-1H-pyrrolo[2,1-f][1,2,4]triazin-4-oneMFCD213645072-aminopyrrolo[2,1-f][1,2,4]triazin-4-ol2-aminopyrrolo[1,2-f][1,2,4]triazin-4(3H)-oneSCHEMBL10001046
Show more names
2-Aminopyrrolo[2,1-f][1,2,4]triazin-4(1H)2-aMinopyrrolo[1,2-f][1,2,4]triazin-4(1H)-onePyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 2-amino-
SCHEMBL10142695DTXSID70434055AKOS022174729AKOS032455769CS-W003913AC-29469CS-11748SY029365
Database identifiers
- CAS
159326-75-7- PubChem CID
- 135410170
- DTXSID
DTXSID70434055- EC Number
- 881-748-2
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Density
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- pka
- 7 · 7.00±0.20(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P280-P305+P351+P338-P310
Suppliers
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Related reactions
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Compound notes
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