5-amino-3-(3-aminopropyl)-1H-pyrazole-4-carbonitrile
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Basic information
- CAS
113513-27-2- Standard SMILES
N#Cc1c(N)n[nH]c1CCCN- InChIKey
AALOEZGCFHDEHM-UHFFFAOYSA-N- Molecular formula
- C7H11N5
- Average molar mass
- 165.2 g/mol
- Monoisotopic mass
- 165.10144537
Names & identifiers
- Preferred name
- 5-amino-3-(3-aminopropyl)-1H-pyrazole-4-carbonitrile
- IUPAC
- 3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile
- English name
- 5-AMINO-3-(3-AMINOPROPYL)-1H-PYRAZOLE-4-CARBONITRILE
- Molecular formula
- C7H11N5
- Molecular weight
- 165.2
Names & synonyms
5-amino-3-(3-aminopropyl)-1H-pyrazole-4-carbonitrile890609-52-6DTXSID00368490RefChem:301002DTXCID00319528113513-27-23-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrileMFCD023707671H-Pyrazole-4-carbonitrile, 3-amino-5-(3-aminopropyl)-5-amino-3-(3-aminopropyl)pyrazole-4-carbonitrileMLS000565238Oprea1_387194
Show more names
5-Amino-3-(3-aminopropyl)-1H-pyrazol-4-carbonitrile
CHEMBL1432865HMS2455B16NEA51327AKOS002240552BS-19242SMR000152478SY132494CS-0213076
Database identifiers
- CAS
113513-27-2、890609-52-6- PubChem CID
- 2398027
- DTXSID
DTXSID00368490- ChEMBL
CHEMBL1432865- EC Number
- 998-031-6
- Nikkaji
- J433.131A
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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