[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine

C10H12N4O — CID 82396636

IUPAC[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOc1cccc(-n2cnnc2CN)c1
InChIInChI=1S/C10H12N4O/c1-15-9-4-2-3-8(5-9)14-7-12-13-10(14)6-11/h2-5,7H,6,11H2,1H3
InChIKeyUEEGBHSUBTYFMO-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.73
Rot. Bonds3

About [4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine

[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 82396636) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID82396636
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOc1cccc(-n2cnnc2CN)c1
InChIInChI=1S/C10H12N4O/c1-15-9-4-2-3-8(5-9)14-7-12-13-10(14)6-11/h2-5,7H,6,11H2,1H3
InChIKeyUEEGBHSUBTYFMO-UHFFFAOYSA-N
XLogP0.73
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine 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

(4-phenyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 71779094
2-[3-(3-ethyl-1,2,4-triazol-4-yl)phenoxy]ethanamine
CID 96687117
[3-(3-methoxyphenyl)imidazol-4-yl]methanamine
CID 114703764
2-[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 56706277
[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 139034447
3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole
CID 115393487
methyl (2S)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
CID 7902783
3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol
CID 84672362
[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine
CID 82207885
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
3-[(2,5-dimethylphenyl)methylsulfanyl]-4-(3-methoxyphenyl)-1,2,4-triazole
CID 7902740
4-(3-methoxyphenyl)-N'-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111290958

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine (CID 82396636) is [4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine is COc1cccc(-n2cnnc2CN)c1.
What is the InChIKey of [4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is UEEGBHSUBTYFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-15-9-4-2-3-8(5-9)14-7-12-13-10(14)6-11/h2-5,7H,6,11H2,1H3.
What are the key properties of [4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine?
[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 204.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82396636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).