2-methyl-5-phenyl-1,2,4-triazol-3-amine

C9H10N4 — CID 12581307

IUPAC2-methyl-5-phenyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2ccccc2)nc1N
InChIInChI=1S/C9H10N4/c1-13-9(10)11-8(12-13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12)
InChIKeyHRLKLZWPSVFXAC-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.06
Rot. Bonds1

About 2-methyl-5-phenyl-1,2,4-triazol-3-amine

2-methyl-5-phenyl-1,2,4-triazol-3-amine (PubChem CID 12581307) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-methyl-5-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-methyl-5-phenyl-1,2,4-triazol-3-amine
PubChem CID12581307
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2-methyl-5-phenyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2ccccc2)nc1N
InChIInChI=1S/C9H10N4/c1-13-9(10)11-8(12-13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12)
InChIKeyHRLKLZWPSVFXAC-UHFFFAOYSA-N
XLogP1.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-methyl-5-phenyl-1,2,4-triazol-3-amine (CID 12581307) is 2-methyl-5-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-methyl-5-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-methyl-5-phenyl-1,2,4-triazol-3-amine is Cn1nc(-c2ccccc2)nc1N.
What is the InChIKey of 2-methyl-5-phenyl-1,2,4-triazol-3-amine?
The InChIKey is HRLKLZWPSVFXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-13-9(10)11-8(12-13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12).
What are the key properties of 2-methyl-5-phenyl-1,2,4-triazol-3-amine?
2-methyl-5-phenyl-1,2,4-triazol-3-amine has a molecular weight of 174.21 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 12581307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).