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

C11H14N4O — CID 83888228

IUPAC5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2ccc(OC)cc2)n1C
InChIInChI=1S/C11H14N4O/c1-12-11-14-13-10(15(11)2)8-4-6-9(16-3)7-5-8/h4-7H,1-3H3,(H,12,14)
InChIKeyRLJCLGGGZRYJIL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.53
Rot. Bonds3

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

5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 83888228) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID83888228
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2ccc(OC)cc2)n1C
InChIInChI=1S/C11H14N4O/c1-12-11-14-13-10(15(11)2)8-4-6-9(16-3)7-5-8/h4-7H,1-3H3,(H,12,14)
InChIKeyRLJCLGGGZRYJIL-UHFFFAOYSA-N
XLogP1.53
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxy-4-methylphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596588
N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine
CID 112596529
4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol
CID 136926758
5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine
CID 35754869
4-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]benzoic acid
CID 112597595
2-[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82128879
5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596566
5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 83882734
(2R)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylpropanamide
CID 9456065
5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596565
N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 112596439
5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116976946

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 83888228) is 5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(-c2ccc(OC)cc2)n1C.
What is the InChIKey of 5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is RLJCLGGGZRYJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-12-11-14-13-10(15(11)2)8-4-6-9(16-3)7-5-8/h4-7H,1-3H3,(H,12,14).
What are the key properties of 5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 218.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 83888228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).