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

C9H10N4 — CID 14118041

IUPAC5-methyl-N-phenyl-1H-1,2,4-triazol-3-amine
SMILESCc1nc(Nc2ccccc2)n[nH]1
InChIInChI=1S/C9H10N4/c1-7-10-9(13-12-7)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12,13)
InChIKeyXXPFSAXDWMKJPI-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.86
Rot. Bonds2

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

5-methyl-N-phenyl-1H-1,2,4-triazol-3-amine (PubChem CID 14118041) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 5-methyl-N-phenyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-phenyl-1H-1,2,4-triazol-3-amine
PubChem CID14118041
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name5-methyl-N-phenyl-1H-1,2,4-triazol-3-amine
SMILESCc1nc(Nc2ccccc2)n[nH]1
InChIInChI=1S/C9H10N4/c1-7-10-9(13-12-7)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12,13)
InChIKeyXXPFSAXDWMKJPI-UHFFFAOYSA-N
XLogP1.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-methyl-N-phenyl-1H-1,2,4-triazol-3-amine (CID 14118041) is 5-methyl-N-phenyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methyl-N-phenyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methyl-N-phenyl-1H-1,2,4-triazol-3-amine is Cc1nc(Nc2ccccc2)n[nH]1.
What is the InChIKey of 5-methyl-N-phenyl-1H-1,2,4-triazol-3-amine?
The InChIKey is XXPFSAXDWMKJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-7-10-9(13-12-7)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12,13).
What are the key properties of 5-methyl-N-phenyl-1H-1,2,4-triazol-3-amine?
5-methyl-N-phenyl-1H-1,2,4-triazol-3-amine has a molecular weight of 174.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 14118041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).