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

C9H10N4 — CID 747058

IUPAC5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2nc(N)n[nH]2)cc1
InChIInChI=1S/C9H10N4/c1-6-2-4-7(5-3-6)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
InChIKeyOFNBXLBLUCECGY-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.36
Rot. Bonds1

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

5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 747058) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine
PubChem CID747058
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2nc(N)n[nH]2)cc1
InChIInChI=1S/C9H10N4/c1-6-2-4-7(5-3-6)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
InChIKeyOFNBXLBLUCECGY-UHFFFAOYSA-N
XLogP1.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine (CID 747058) is 5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine is Cc1ccc(-c2nc(N)n[nH]2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is OFNBXLBLUCECGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-6-2-4-7(5-3-6)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13).
What are the key properties of 5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine?
5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 174.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 747058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).