5-azido-1H-1,2,4-triazol-3-amine

C2H3N7 — CID 135889704

IUPAC5-azido-1H-1,2,4-triazol-3-amine
SMILES[N-]=[N+]=Nc1nc(N)n[nH]1
InChIInChI=1S/C2H3N7/c3-1-5-2(7-6-1)8-9-4/h(H3,3,5,6,7)
InChIKeyFVQJGJOWBMJPNW-UHFFFAOYSA-N
MW125.09 g/mol
LogP0.33
Rot. Bonds1

About 5-azido-1H-1,2,4-triazol-3-amine

5-azido-1H-1,2,4-triazol-3-amine (PubChem CID 135889704) has the molecular formula C2H3N7 and a molecular weight of 125.09 g/mol. Its IUPAC name is 5-azido-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-azido-1H-1,2,4-triazol-3-amine
PubChem CID135889704
Molecular FormulaC2H3N7
Molecular Weight125.09 g/mol
Exact Mass125.04
IUPAC Name5-azido-1H-1,2,4-triazol-3-amine
SMILES[N-]=[N+]=Nc1nc(N)n[nH]1
InChIInChI=1S/C2H3N7/c3-1-5-2(7-6-1)8-9-4/h(H3,3,5,6,7)
InChIKeyFVQJGJOWBMJPNW-UHFFFAOYSA-N
XLogP0.33
TPSA116.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-azido-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-azido-1H-1,2,4-triazol-3-amine (CID 135889704) is 5-azido-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-azido-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-azido-1H-1,2,4-triazol-3-amine is [N-]=[N+]=Nc1nc(N)n[nH]1.
What is the InChIKey of 5-azido-1H-1,2,4-triazol-3-amine?
The InChIKey is FVQJGJOWBMJPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N7/c3-1-5-2(7-6-1)8-9-4/h(H3,3,5,6,7).
What are the key properties of 5-azido-1H-1,2,4-triazol-3-amine?
5-azido-1H-1,2,4-triazol-3-amine has a molecular weight of 125.09 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 135889704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).