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

C9H10N4O — CID 781002

IUPAC5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine
SMILESCOc1ccc(-c2nc(N)n[nH]2)cc1
InChIInChI=1S/C9H10N4O/c1-14-7-4-2-6(3-5-7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
InChIKeyBKEAHUXWMIWWCP-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.06
Rot. Bonds2

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

5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 781002) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine
PubChem CID781002
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine
SMILESCOc1ccc(-c2nc(N)n[nH]2)cc1
InChIInChI=1S/C9H10N4O/c1-14-7-4-2-6(3-5-7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
InChIKeyBKEAHUXWMIWWCP-UHFFFAOYSA-N
XLogP1.06
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine (CID 781002) is 5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine is COc1ccc(-c2nc(N)n[nH]2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is BKEAHUXWMIWWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-14-7-4-2-6(3-5-7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13).
What are the key properties of 5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine?
5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 190.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 781002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).