Basic information
- CAS
22819-11-0- Standard SMILES
Nc1n[nH]c(Cc2nc(N)n[nH]2)n1- InChIKey
MBNDVRNZPXEYHL-UHFFFAOYSA-N- Molecular formula
- C5H8N8
- Average molar mass
- 180.17 g/mol
- Monoisotopic mass
- 180.08719226
Names & identifiers
- Preferred name
- 5-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazol-3-amine
- IUPAC
- 5-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1H-1,2,4-triazol-3-amine
- English name
- 5-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazol-3-amine
- Molecular formula
- C5H8N8
- Molecular weight
- 180.17
Names & synonyms
22819-11-0bis(5-amino-1,2,4-triazol-3-yl)methane5-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazol-3-amine3-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazol-5-amine5,5'-Methylenebis[1H-1,2,4-triazol-3-amine]5-[(5-amino-4H-1,2,4-triazol-3-yl)methyl]-4H-1,2,4-triazol-3-amine5,5'-methylenebis(1H-1,2,4-triazol-3-amine)5-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1H-1,2,4-triazol-3-amineCambridge id 5141074CHEMBL446786SCHEMBL2491086SCHEMBL2491647
Show more names
3,3'-methylenebis(1H-1,2,4-triazol-5-amine)1H-1,2,4-Triazol-3-amine, 5,5'-methylenebis-
MBNDVRNZPXEYHL-UHFFFAOYSA-NDTXSID001260794HMS1612B11MFCD00728221STL169564AKOS001033550AKOS001660496AKOS005367213
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 227 °C · 227 °C
- Boiling point
- 703 · 703.0±70.0 °C(Predicted)
- Density
- 1.75 · 1.750±0.06 g/cm3(Predicted)
- pka
- 10.34 · 10.34±0.40(Predicted)
Chemistry & industry
Suppliers1 total
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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