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

C11H11ClN4O — CID 19904227

IUPAC5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1c(Cc2ccccc2Cl)nnc1C(N)=O
InChIInChI=1S/C11H11ClN4O/c1-16-9(14-15-11(16)10(13)17)6-7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H2,13,17)
InChIKeyGWBXSSWPGKBJIW-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.16
Rot. Bonds3

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

5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 19904227) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide
PubChem CID19904227
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1c(Cc2ccccc2Cl)nnc1C(N)=O
InChIInChI=1S/C11H11ClN4O/c1-16-9(14-15-11(16)10(13)17)6-7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H2,13,17)
InChIKeyGWBXSSWPGKBJIW-UHFFFAOYSA-N
XLogP1.16
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxylic acid
CID 19904237
5-[2-(2-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-amine
CID 82021393
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
4-[(2-chlorophenyl)methyl]-3-ethylbenzamide
CID 174688363
3-(bromomethyl)-5-[(2-chlorophenyl)methyl]-4-propyl-1,2,4-triazole
CID 113302553
3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139617
4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 114182253
3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117146970
3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole
CID 115394894
4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]-2-methylbutanoic acid
CID 80541593
3-(chloromethyl)-5-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301866
2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide
CID 112535389

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide (CID 19904227) is 5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide is Cn1c(Cc2ccccc2Cl)nnc1C(N)=O.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is GWBXSSWPGKBJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-16-9(14-15-11(16)10(13)17)6-7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H2,13,17).
What are the key properties of 5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide?
5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 19904227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).