5-azido-3-methoxy-1H-1,2,4-triazole

C3H4N6O — CID 3450738

IUPAC5-azido-3-methoxy-1H-1,2,4-triazole
SMILESCOc1n[nH]c(N=[N+]=[N-])n1
InChIInChI=1S/C3H4N6O/c1-10-3-5-2(6-8-3)7-9-4/h1H3,(H,5,6,8)
InChIKeyGGGYJXFCPDLMET-UHFFFAOYSA-N
MW140.11 g/mol
LogP0.76
Rot. Bonds2

About 5-azido-3-methoxy-1H-1,2,4-triazole

5-azido-3-methoxy-1H-1,2,4-triazole (PubChem CID 3450738) has the molecular formula C3H4N6O and a molecular weight of 140.11 g/mol. Its IUPAC name is 5-azido-3-methoxy-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-azido-3-methoxy-1H-1,2,4-triazole
PubChem CID3450738
Molecular FormulaC3H4N6O
Molecular Weight140.11 g/mol
Exact Mass140.04
IUPAC Name5-azido-3-methoxy-1H-1,2,4-triazole
SMILESCOc1n[nH]c(N=[N+]=[N-])n1
InChIInChI=1S/C3H4N6O/c1-10-3-5-2(6-8-3)7-9-4/h1H3,(H,5,6,8)
InChIKeyGGGYJXFCPDLMET-UHFFFAOYSA-N
XLogP0.76
TPSA99.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.11
LogP ≤ 50.76
H-Bond Donors ≤ 51
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'}

Analyze 5-azido-3-methoxy-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-azido-3-methoxy-1H-1,2,4-triazole?
The IUPAC name of 5-azido-3-methoxy-1H-1,2,4-triazole (CID 3450738) is 5-azido-3-methoxy-1H-1,2,4-triazole.
What is the SMILES notation for 5-azido-3-methoxy-1H-1,2,4-triazole?
The canonical SMILES for 5-azido-3-methoxy-1H-1,2,4-triazole is COc1n[nH]c(N=[N+]=[N-])n1.
What is the InChIKey of 5-azido-3-methoxy-1H-1,2,4-triazole?
The InChIKey is GGGYJXFCPDLMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N6O/c1-10-3-5-2(6-8-3)7-9-4/h1H3,(H,5,6,8).
What are the key properties of 5-azido-3-methoxy-1H-1,2,4-triazole?
5-azido-3-methoxy-1H-1,2,4-triazole has a molecular weight of 140.11 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-3-methoxy-1H-1,2,4-triazole is sourced from PubChem (CID 3450738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).