1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide

C10H9ClN4O2 — CID 175940948

IUPAC1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
SMILESCn1c(C(N)=O)nn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C10H9ClN4O2/c1-14-9(8(12)16)13-15(10(14)17)7-4-2-6(11)3-5-7/h2-5H,1H3,(H2,12,16)
InChIKeyMYSFIZFBNIBRKI-UHFFFAOYSA-N
MW252.66 g/mol
LogP0.32
Rot. Bonds2

About 1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide (PubChem CID 175940948) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
PubChem CID175940948
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
SMILESCn1c(C(N)=O)nn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C10H9ClN4O2/c1-14-9(8(12)16)13-15(10(14)17)7-4-2-6(11)3-5-7/h2-5H,1H3,(H2,12,16)
InChIKeyMYSFIZFBNIBRKI-UHFFFAOYSA-N
XLogP0.32
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 175940957
N-butyl-2-(4-chlorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088619
2-(4-chlorophenyl)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-1,2,4-triazine-3,5-dione
CID 53088631
2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088667
2-(4-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methyl-1,2,4-triazine-3,5-dione
CID 53088661
ethyl 1-(4-chlorophenyl)-6-methyl-5-oxo-[1,2,4]triazolo[3,4-c][1,2,4]triazine-3-carboxylate
CID 1234426
6-(4-benzylpiperazine-1-carbonyl)-2-(4-chlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione
CID 53088627
2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088640
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2477894
5-amino-1-(4-chlorophenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817604
N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53008425
[4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate
CID 130221709

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide (CID 175940948) is 1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide is Cn1c(C(N)=O)nn(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide?
The InChIKey is MYSFIZFBNIBRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-14-9(8(12)16)13-15(10(14)17)7-4-2-6(11)3-5-7/h2-5H,1H3,(H2,12,16).
What are the key properties of 1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide has a molecular weight of 252.66 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 175940948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).