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

C11H14N4O — CID 104605127

IUPAC5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCOc1cc(-c2nc(N)n(C)n2)ccc1C
InChIInChI=1S/C11H14N4O/c1-7-4-5-8(6-9(7)16-3)10-13-11(12)15(2)14-10/h4-6H,1-3H3,(H2,12,13,14)
InChIKeyMKAWLHXFDPIPJD-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.38
Rot. Bonds2

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

5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine (PubChem CID 104605127) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
PubChem CID104605127
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCOc1cc(-c2nc(N)n(C)n2)ccc1C
InChIInChI=1S/C11H14N4O/c1-7-4-5-8(6-9(7)16-3)10-13-11(12)15(2)14-10/h4-6H,1-3H3,(H2,12,13,14)
InChIKeyMKAWLHXFDPIPJD-UHFFFAOYSA-N
XLogP1.38
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 43158798
3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 43336661
5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine
CID 105063345
ethyl 5-(3-methoxy-4-methylphenyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 63382531
5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine
CID 107971918
5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(5-methoxy-2-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
CID 67606450
2-methoxy-6-(3-methoxy-4-methylphenyl)naphthalene
CID 57012474
4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline
CID 134456084
1-[5-amino-3-(3,4-dimethylphenyl)-1,2,4-triazol-1-yl]propan-1-one
CID 53003435
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352
2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 53214669

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine (CID 104605127) is 5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine is COc1cc(-c2nc(N)n(C)n2)ccc1C.
What is the InChIKey of 5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is MKAWLHXFDPIPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-4-5-8(6-9(7)16-3)10-13-11(12)15(2)14-10/h4-6H,1-3H3,(H2,12,13,14).
What are the key properties of 5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine?
5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 218.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 104605127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).