5-azido-1-(4-methoxyphenyl)-4-phenyltriazole

C15H12N6O — CID 14612175

IUPAC5-azido-1-(4-methoxyphenyl)-4-phenyltriazole
SMILESCOc1ccc(-n2nnc(-c3ccccc3)c2N=[N+]=[N-])cc1
InChIInChI=1S/C15H12N6O/c1-22-13-9-7-12(8-10-13)21-15(18-19-16)14(17-20-21)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyBSBIMWGTDLYHAF-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.88
Rot. Bonds4

About 5-azido-1-(4-methoxyphenyl)-4-phenyltriazole

5-azido-1-(4-methoxyphenyl)-4-phenyltriazole (PubChem CID 14612175) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 5-azido-1-(4-methoxyphenyl)-4-phenyltriazole.

Molecular Properties

Compound Name5-azido-1-(4-methoxyphenyl)-4-phenyltriazole
PubChem CID14612175
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name5-azido-1-(4-methoxyphenyl)-4-phenyltriazole
SMILESCOc1ccc(-n2nnc(-c3ccccc3)c2N=[N+]=[N-])cc1
InChIInChI=1S/C15H12N6O/c1-22-13-9-7-12(8-10-13)21-15(18-19-16)14(17-20-21)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyBSBIMWGTDLYHAF-UHFFFAOYSA-N
XLogP3.88
TPSA88.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-1-(4-methoxyphenyl)-4-phenyltriazole with MolForge

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

Launch Full Analysis

Related Compounds

5-azido-1-phenyltriazole-4-carbonitrile
CID 13484755
3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
CID 82369496
3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine
CID 82370111
5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole
CID 13162146
1,7-bis(4-methoxyphenyl)triazolo[4,5-f]benzotriazole-4,8-dione
CID 139192212
4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole
CID 10808049
5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
CID 14612161
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine
CID 82370104
5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid
CID 82364034
5-methyl-4-phenyl-1-(4-prop-2-enoxyphenyl)triazole
CID 13162143
2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol
CID 82370611

Frequently Asked Questions

What is the IUPAC name of 5-azido-1-(4-methoxyphenyl)-4-phenyltriazole?
The IUPAC name of 5-azido-1-(4-methoxyphenyl)-4-phenyltriazole (CID 14612175) is 5-azido-1-(4-methoxyphenyl)-4-phenyltriazole.
What is the SMILES notation for 5-azido-1-(4-methoxyphenyl)-4-phenyltriazole?
The canonical SMILES for 5-azido-1-(4-methoxyphenyl)-4-phenyltriazole is COc1ccc(-n2nnc(-c3ccccc3)c2N=[N+]=[N-])cc1.
What is the InChIKey of 5-azido-1-(4-methoxyphenyl)-4-phenyltriazole?
The InChIKey is BSBIMWGTDLYHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c1-22-13-9-7-12(8-10-13)21-15(18-19-16)14(17-20-21)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 5-azido-1-(4-methoxyphenyl)-4-phenyltriazole?
5-azido-1-(4-methoxyphenyl)-4-phenyltriazole has a molecular weight of 292.30 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-1-(4-methoxyphenyl)-4-phenyltriazole is sourced from PubChem (CID 14612175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).