4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one

C9H10N4O — CID 10910322

IUPAC4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one
SMILESCc1nn(-c2ccccc2)c(=O)n1N
InChIInChI=1S/C9H10N4O/c1-7-11-13(9(14)12(7)10)8-5-3-2-4-6-8/h2-6H,10H2,1H3
InChIKeyDJDGZVOMNGYQOG-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.06
Rot. Bonds1

About 4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one

4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one (PubChem CID 10910322) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one
PubChem CID10910322
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one
SMILESCc1nn(-c2ccccc2)c(=O)n1N
InChIInChI=1S/C9H10N4O/c1-7-11-13(9(14)12(7)10)8-5-3-2-4-6-8/h2-6H,10H2,1H3
InChIKeyDJDGZVOMNGYQOG-UHFFFAOYSA-N
XLogP0.06
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one?
The IUPAC name of 4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one (CID 10910322) is 4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one is Cc1nn(-c2ccccc2)c(=O)n1N.
What is the InChIKey of 4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one?
The InChIKey is DJDGZVOMNGYQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-7-11-13(9(14)12(7)10)8-5-3-2-4-6-8/h2-6H,10H2,1H3.
What are the key properties of 4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one?
4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one has a molecular weight of 190.21 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 10910322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).