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

C12H16N4O — CID 112596588

IUPAC5-(3-methoxy-4-methylphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2ccc(C)c(OC)c2)n1C
InChIInChI=1S/C12H16N4O/c1-8-5-6-9(7-10(8)17-4)11-14-15-12(13-2)16(11)3/h5-7H,1-4H3,(H,13,15)
InChIKeyYPWNTPFJMPQZSJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.84
Rot. Bonds3

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

5-(3-methoxy-4-methylphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112596588) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(3-methoxy-4-methylphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-methoxy-4-methylphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112596588
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-(3-methoxy-4-methylphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2ccc(C)c(OC)c2)n1C
InChIInChI=1S/C12H16N4O/c1-8-5-6-9(7-10(8)17-4)11-14-15-12(13-2)16(11)3/h5-7H,1-4H3,(H,13,15)
InChIKeyYPWNTPFJMPQZSJ-UHFFFAOYSA-N
XLogP1.84
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 83888228
4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol
CID 136926758
5-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]benzene-1,3-diamine
CID 107811849
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyaniline
CID 82472145
N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 112596439
[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 82131112
5-(4-amino-3,5-dichlorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597206
3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 43158798
5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
CID 104605127
4-(4-fluorophenyl)-2-methoxy-1-methylbenzene
CID 46313029
2-methoxy-6-(3-methoxy-4-methylphenyl)naphthalene
CID 57012474
N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine
CID 112596470

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-methylphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-methoxy-4-methylphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112596588) is 5-(3-methoxy-4-methylphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-methoxy-4-methylphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-methoxy-4-methylphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(-c2ccc(C)c(OC)c2)n1C.
What is the InChIKey of 5-(3-methoxy-4-methylphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is YPWNTPFJMPQZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-5-6-9(7-10(8)17-4)11-14-15-12(13-2)16(11)3/h5-7H,1-4H3,(H,13,15).
What are the key properties of 5-(3-methoxy-4-methylphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(3-methoxy-4-methylphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 232.29 g/mol, XLogP of 1.84, 3 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)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).