4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide

C10H10N4O2 — CID 175811093

IUPAC4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCn1c(C(N)=O)nn(-c2ccccc2)c1=O
InChIInChI=1S/C10H10N4O2/c1-13-9(8(11)15)12-14(10(13)16)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,15)
InChIKeySBCQOBDSZJXXJR-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.33
Rot. Bonds2

About 4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide

4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 175811093) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID175811093
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCn1c(C(N)=O)nn(-c2ccccc2)c1=O
InChIInChI=1S/C10H10N4O2/c1-13-9(8(11)15)12-14(10(13)16)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,15)
InChIKeySBCQOBDSZJXXJR-UHFFFAOYSA-N
XLogP-0.33
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide (CID 175811093) is 4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide is Cn1c(C(N)=O)nn(-c2ccccc2)c1=O.
What is the InChIKey of 4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is SBCQOBDSZJXXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-13-9(8(11)15)12-14(10(13)16)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,15).
What are the key properties of 4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide?
4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 218.22 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 175811093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).