2-chloro-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide

C10H9ClN4O — CID 885837

IUPAC2-chloro-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ncn[nH]2)c(Cl)c1
InChIInChI=1S/C10H9ClN4O/c1-6-2-3-7(8(11)4-6)9(16)14-10-12-5-13-15-10/h2-5H,1H3,(H2,12,13,14,15,16)
InChIKeyAPPJRPBAZGFSID-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.02
Rot. Bonds2

About 2-chloro-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide

2-chloro-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 885837) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID885837
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name2-chloro-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ncn[nH]2)c(Cl)c1
InChIInChI=1S/C10H9ClN4O/c1-6-2-3-7(8(11)4-6)9(16)14-10-12-5-13-15-10/h2-5H,1H3,(H2,12,13,14,15,16)
InChIKeyAPPJRPBAZGFSID-UHFFFAOYSA-N
XLogP2.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2-chloro-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 885837) is 2-chloro-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide is Cc1ccc(C(=O)Nc2ncn[nH]2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is APPJRPBAZGFSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-6-2-3-7(8(11)4-6)9(16)14-10-12-5-13-15-10/h2-5H,1H3,(H2,12,13,14,15,16).
What are the key properties of 2-chloro-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
2-chloro-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 236.66 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 885837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).