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

C10H12N4O — CID 60911456

IUPAC1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine
SMILESCOc1ccc(Cn2cnc(N)n2)cc1
InChIInChI=1S/C10H12N4O/c1-15-9-4-2-8(3-5-9)6-14-7-12-10(11)13-14/h2-5,7H,6H2,1H3,(H2,11,13)
InChIKeyJKYAJSICINMAJG-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.92
Rot. Bonds3

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

1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine (PubChem CID 60911456) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine
PubChem CID60911456
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine
SMILESCOc1ccc(Cn2cnc(N)n2)cc1
InChIInChI=1S/C10H12N4O/c1-15-9-4-2-8(3-5-9)6-14-7-12-10(11)13-14/h2-5,7H,6H2,1H3,(H2,11,13)
InChIKeyJKYAJSICINMAJG-UHFFFAOYSA-N
XLogP0.92
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine (CID 60911456) is 1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine is COc1ccc(Cn2cnc(N)n2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is JKYAJSICINMAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-15-9-4-2-8(3-5-9)6-14-7-12-10(11)13-14/h2-5,7H,6H2,1H3,(H2,11,13).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine?
1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 204.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 60911456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).