[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine

C11H14N4 — CID 62054469

IUPAC[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
SMILESCc1ccc(Cn2cc(CN)nn2)cc1
InChIInChI=1S/C11H14N4/c1-9-2-4-10(5-3-9)7-15-8-11(6-12)13-14-15/h2-5,8H,6-7,12H2,1H3
InChIKeyUSQVNGLFZBZWHO-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.09
Rot. Bonds3

About [1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine

[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine (PubChem CID 62054469) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
PubChem CID62054469
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
SMILESCc1ccc(Cn2cc(CN)nn2)cc1
InChIInChI=1S/C11H14N4/c1-9-2-4-10(5-3-9)7-15-8-11(6-12)13-14-15/h2-5,8H,6-7,12H2,1H3
InChIKeyUSQVNGLFZBZWHO-UHFFFAOYSA-N
XLogP1.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[3,5-bis[[4-(aminomethyl)triazol-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]triazol-4-yl]methanamine
CID 172508919
1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanamine
CID 114419617
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 62054458
(1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol
CID 67547455
ethyl 1-[(4-methylphenyl)methyl]triazole-4-carboxylate
CID 849724
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
CID 102291275
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
2-[1-[(4-methylsulfonylphenyl)methyl]triazol-4-yl]ethanamine
CID 45490104
3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine
CID 114160081
4-(2-chloroethyl)-1-[(4-ethylphenyl)methyl]triazole
CID 62401767
[1-[(2,3,6-trichlorophenyl)methyl]triazol-4-yl]methanamine
CID 82204215

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine (CID 62054469) is [1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine is Cc1ccc(Cn2cc(CN)nn2)cc1.
What is the InChIKey of [1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The InChIKey is USQVNGLFZBZWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9-2-4-10(5-3-9)7-15-8-11(6-12)13-14-15/h2-5,8H,6-7,12H2,1H3.
What are the key properties of [1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62054469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).