5-tert-butyl-4H-1,2,4-triazol-3-amine
Completing data — refresh the page later to see the latest
Basic information
- CAS
202403-45-0- Standard SMILES
CC(C)(C)c1n[nH]c(N)n1- InChIKey
WJYHYRWRTPOGSH-UHFFFAOYSA-N- Molecular formula
- C6H12N4
- Average molar mass
- 140.19 g/mol
- Monoisotopic mass
- 140.1061964
Names & identifiers
- Preferred name
- 5-tert-butyl-4H-1,2,4-triazol-3-amine
- IUPAC
- 5-tert-butyl-1H-1,2,4-triazol-3-amine
- English name
- 1H-1,2,4-Triazol-3-amine,5-(1,1-dimethylethyl)-(9CI)
- Molecular formula
- C6H12N4
- Molecular weight
- 140.19
Names & synonyms
202403-45-05-tert-butyl-4H-1,2,4-triazol-3-amine5-TERT-BUTYL-4H-[1,2,4]TRIAZOL-3-YLAMINE5-tert-butyl-1H-1,2,4-triazol-3-amineMFCD049668545-(tert-butyl)-4H-1,2,4-triazol-3-amine1H-1,2,4-Triazol-3-amine,5-(1,1-dimethylethyl)-(9CI)Oprea1_057610SCHEMBL1997096SCHEMBL9712691SCHEMBL13666789SCHEMBL31124590
Show more names
1H-1,2,4-Triazol-5-amine, 3-(1,1-dimethylethyl)-5-(Tert-butyl)-1,2-dihydro-3h-1,2,4-triazol-3-imineCyclohepta[c]pyrazole-3-carboxylicacid,2,4,5,6,7,12-hexahydro-,ethylester
WJYHYRWRTPOGSH-UHFFFAOYSA-NCIA40345STK883917AKOS000577176AB20854BS-50312SY3605623-tert-Butyl-1H-1,2,4-triazol-5-amine
Database identifiers
- CAS
202403-45-0- PubChem CID
- 3816620
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Boiling point
- 315.6 · 315.6±25.0 °C(Predicted)
- Density
- 1.138 · 1.138±0.06 g/cm3(Predicted)
- pka
- 11.74 · 11.74±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…