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

C10H12N4 — CID 107447423

IUPAC[2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCc1ccc(-n2ncnc2CN)cc1
InChIInChI=1S/C10H12N4/c1-8-2-4-9(5-3-8)14-10(6-11)12-7-13-14/h2-5,7H,6,11H2,1H3
InChIKeyLOVHBBLIYWAKKU-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.03
Rot. Bonds2

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

[2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 107447423) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID107447423
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name[2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCc1ccc(-n2ncnc2CN)cc1
InChIInChI=1S/C10H12N4/c1-8-2-4-9(5-3-8)14-10(6-11)12-7-13-14/h2-5,7H,6,11H2,1H3
InChIKeyLOVHBBLIYWAKKU-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine
CID 169041735
[5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 82469703
2-(2-phenyl-1,2,4-triazol-3-yl)ethanamine
CID 84661566
1-phenyl-5-propyl-1,2,4-triazole
CID 130383396
1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 870002
[1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
CID 115042606
4-(5-methyl-1,2,4-triazol-1-yl)aniline
CID 12877068
[2-(7-fluoroquinolin-3-yl)-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 174059011
5-(chloromethyl)-1-(3-methylphenyl)-1,2,4-triazole
CID 107447277
[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 139034447
[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
CID 94938003
[1-(4-methylphenyl)-5-phenylpyrazol-4-yl]methanamine
CID 61367384

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine (CID 107447423) is [2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine is Cc1ccc(-n2ncnc2CN)cc1.
What is the InChIKey of [2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is LOVHBBLIYWAKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8-2-4-9(5-3-8)14-10(6-11)12-7-13-14/h2-5,7H,6,11H2,1H3.
What are the key properties of [2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
[2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 188.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 107447423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).