5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine

C11H14N4 — CID 62679998

IUPAC5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine
SMILESCc1ccc(Cn2nc(C)nc2N)cc1
InChIInChI=1S/C11H14N4/c1-8-3-5-10(6-4-8)7-15-11(12)13-9(2)14-15/h3-6H,7H2,1-2H3,(H2,12,13,14)
InChIKeyCPKJBVVJNAQGPJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.53
Rot. Bonds2

About 5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine

5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine (PubChem CID 62679998) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine
PubChem CID62679998
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine
SMILESCc1ccc(Cn2nc(C)nc2N)cc1
InChIInChI=1S/C11H14N4/c1-8-3-5-10(6-4-8)7-15-11(12)13-9(2)14-15/h3-6H,7H2,1-2H3,(H2,12,13,14)
InChIKeyCPKJBVVJNAQGPJ-UHFFFAOYSA-N
XLogP1.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine
CID 62677338
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine
CID 571135
4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-methylaniline
CID 91615188
3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine
CID 43471217
[5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine
CID 83534323
5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66023235
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane
CID 144748277
5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine
CID 79547585
2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine
CID 63274880
1-methyl-3-[2-[5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]piperidine
CID 72916231
3,5-dimethyl-1-[(4-propoxyphenyl)methyl]-1,2,4-triazole
CID 84592616
4-ethyl-5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-one
CID 71011648

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine (CID 62679998) is 5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine is Cc1ccc(Cn2nc(C)nc2N)cc1.
What is the InChIKey of 5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is CPKJBVVJNAQGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-3-5-10(6-4-8)7-15-11(12)13-9(2)14-15/h3-6H,7H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine?
5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 202.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 62679998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).