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

C10H9ClN4O2 — CID 975491

IUPAC5-chloro-2-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C10H9ClN4O2/c1-17-8-3-2-6(11)4-7(8)9(16)14-10-12-5-13-15-10/h2-5H,1H3,(H2,12,13,14,15,16)
InChIKeyGJAUSCCFOSOKGW-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.72
Rot. Bonds3

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

5-chloro-2-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 975491) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID975491
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name5-chloro-2-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C10H9ClN4O2/c1-17-8-3-2-6(11)4-7(8)9(16)14-10-12-5-13-15-10/h2-5H,1H3,(H2,12,13,14,15,16)
InChIKeyGJAUSCCFOSOKGW-UHFFFAOYSA-N
XLogP1.72
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 748724
5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 4779955
5-chloro-2-methoxy-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 648937
5-chloro-2-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 669777
N-(5-chloro-2-ethoxybenzyl)-N-(1H-1,2,4-triazol-3-yl)amine
CID 6492066
5-chloro-N-(5,6-dihydrothiazolo[2,3-c][1,2,4]triazol-3-yl)-2-methoxybenzamide
CID 16031371
3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30865163
5-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxybenzamide
CID 45824163
(5-Chloro-2-propoxyphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72104591
2-ethoxy-N-(1H-1,2,4-triazol-3-yl)benzamide
CID 891427
(2-methoxyphenyl)-N-(1,2,4-triazolylmethyl)carboxamide
CID 827241
4-chloro-2-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 53574710

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 975491) is 5-chloro-2-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is COc1ccc(Cl)cc1C(=O)Nc1ncn[nH]1.
What is the InChIKey of 5-chloro-2-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is GJAUSCCFOSOKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-17-8-3-2-6(11)4-7(8)9(16)14-10-12-5-13-15-10/h2-5H,1H3,(H2,12,13,14,15,16).
What are the key properties of 5-chloro-2-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
5-chloro-2-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 252.66 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 975491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).