3-(3-methoxyphenyl)triazol-4-amine

C9H10N4O — CID 105444137

IUPAC3-(3-methoxyphenyl)triazol-4-amine
SMILESCOc1cccc(-n2nncc2N)c1
InChIInChI=1S/C9H10N4O/c1-14-8-4-2-3-7(5-8)13-9(10)6-11-12-13/h2-6H,10H2,1H3
InChIKeyAWDOAZZBDIJHPE-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.86
Rot. Bonds2

About 3-(3-methoxyphenyl)triazol-4-amine

3-(3-methoxyphenyl)triazol-4-amine (PubChem CID 105444137) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)triazol-4-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)triazol-4-amine
PubChem CID105444137
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-(3-methoxyphenyl)triazol-4-amine
SMILESCOc1cccc(-n2nncc2N)c1
InChIInChI=1S/C9H10N4O/c1-14-8-4-2-3-7(5-8)13-9(10)6-11-12-13/h2-6H,10H2,1H3
InChIKeyAWDOAZZBDIJHPE-UHFFFAOYSA-N
XLogP0.86
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-methoxyphenyl)triazol-4-amine 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

3-(5-aminotriazol-1-yl)phenol
CID 105436385
1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine
CID 117167252
1-[3-(3-methoxyphenyl)triazol-4-yl]propan-2-one
CID 117167208
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685545
1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine
CID 79501179
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684694
2-(3-methoxyphenyl)triazol-4-amine
CID 82404083
1-(3-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 114798653
[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851
1-(3-methoxyphenyl)triazolo[4,5-c]pyridine
CID 117159499
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
[3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol
CID 115056455

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)triazol-4-amine?
The IUPAC name of 3-(3-methoxyphenyl)triazol-4-amine (CID 105444137) is 3-(3-methoxyphenyl)triazol-4-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)triazol-4-amine?
The canonical SMILES for 3-(3-methoxyphenyl)triazol-4-amine is COc1cccc(-n2nncc2N)c1.
What is the InChIKey of 3-(3-methoxyphenyl)triazol-4-amine?
The InChIKey is AWDOAZZBDIJHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-14-8-4-2-3-7(5-8)13-9(10)6-11-12-13/h2-6H,10H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)triazol-4-amine?
3-(3-methoxyphenyl)triazol-4-amine has a molecular weight of 190.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)triazol-4-amine is sourced from PubChem (CID 105444137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).