[4-(2-methyltriazol-4-yl)phenyl]methanamine

C10H12N4 — CID 130602543

IUPAC[4-(2-methyltriazol-4-yl)phenyl]methanamine
SMILESCn1ncc(-c2ccc(CN)cc2)n1
InChIInChI=1S/C10H12N4/c1-14-12-7-10(13-14)9-4-2-8(6-11)3-5-9/h2-5,7H,6,11H2,1H3
InChIKeyOOZFURMJGSQKRM-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.94
Rot. Bonds2

About [4-(2-methyltriazol-4-yl)phenyl]methanamine

[4-(2-methyltriazol-4-yl)phenyl]methanamine (PubChem CID 130602543) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is [4-(2-methyltriazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-methyltriazol-4-yl)phenyl]methanamine
PubChem CID130602543
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name[4-(2-methyltriazol-4-yl)phenyl]methanamine
SMILESCn1ncc(-c2ccc(CN)cc2)n1
InChIInChI=1S/C10H12N4/c1-14-12-7-10(13-14)9-4-2-8(6-11)3-5-9/h2-5,7H,6,11H2,1H3
InChIKeyOOZFURMJGSQKRM-UHFFFAOYSA-N
XLogP0.94
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-methyltriazol-4-yl)phenyl]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-(2-methyltriazol-4-yl)aniline
CID 21395791
[4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride
CID 118377536
2-chloro-4-(2-methyltriazol-4-yl)aniline
CID 130602565
2-methyl-2-[4-(2-methyltriazol-4-yl)phenyl]propanoic acid
CID 167867732
[4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66097207
5-[4-(aminomethyl)phenyl]-1-methylpyrazole-4-carbaldehyde
CID 174489258
[4-(1-butylpyrazol-3-yl)phenyl]methanamine
CID 175348123
5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine
CID 138622767
[2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 130679685
[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine
CID 62696261
[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanamine
CID 129139605
[2-[4-(aminomethyl)phenyl]-4-pyridinyl]methanol
CID 150361039

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyltriazol-4-yl)phenyl]methanamine?
The IUPAC name of [4-(2-methyltriazol-4-yl)phenyl]methanamine (CID 130602543) is [4-(2-methyltriazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [4-(2-methyltriazol-4-yl)phenyl]methanamine?
The canonical SMILES for [4-(2-methyltriazol-4-yl)phenyl]methanamine is Cn1ncc(-c2ccc(CN)cc2)n1.
What is the InChIKey of [4-(2-methyltriazol-4-yl)phenyl]methanamine?
The InChIKey is OOZFURMJGSQKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-14-12-7-10(13-14)9-4-2-8(6-11)3-5-9/h2-5,7H,6,11H2,1H3.
What are the key properties of [4-(2-methyltriazol-4-yl)phenyl]methanamine?
[4-(2-methyltriazol-4-yl)phenyl]methanamine has a molecular weight of 188.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyltriazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 130602543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).