[5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine

C12H16N4 — CID 112593888

IUPAC[5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCc1cccc(-c2nnc(CN)n2C)c1C
InChIInChI=1S/C12H16N4/c1-8-5-4-6-10(9(8)2)12-15-14-11(7-13)16(12)3/h4-6H,7,13H2,1-3H3
InChIKeyGOFHPZHBBBAPAY-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.56
Rot. Bonds2

About [5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine

[5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593888) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is [5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID112593888
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name[5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCc1cccc(-c2nnc(CN)n2C)c1C
InChIInChI=1S/C12H16N4/c1-8-5-4-6-10(9(8)2)12-15-14-11(7-13)16(12)3/h4-6H,7,13H2,1-3H3
InChIKeyGOFHPZHBBBAPAY-UHFFFAOYSA-N
XLogP1.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,3-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 112594015
[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanamine
CID 112593887
[5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 115397022
[5-(4-chloro-2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 112593844
(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine
CID 82125481
[5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 112593586
5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine
CID 55048915
[5-(2-chloro-3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943836
[4-methyl-5-(4-methyl-3-nitrophenyl)-1,2,4-triazol-3-yl]methanamine
CID 112593843
5-(2,3-dimethylphenyl)-3-methyl-2-propylimidazol-4-amine
CID 62220287
[4-methyl-5-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 112593949
(1,4,5-trimethylbenzimidazol-2-yl)methanamine
CID 84618787

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine (CID 112593888) is [5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine is Cc1cccc(-c2nnc(CN)n2C)c1C.
What is the InChIKey of [5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is GOFHPZHBBBAPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8-5-4-6-10(9(8)2)12-15-14-11(7-13)16(12)3/h4-6H,7,13H2,1-3H3.
What are the key properties of [5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
[5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 216.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).