2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide

C9H6Cl2N4O — CID 690470

IUPAC2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H6Cl2N4O/c10-6-1-2-8(11)7(3-6)9(16)14-15-4-12-13-5-15/h1-5H,(H,14,16)
InChIKeyKWXSWZPUOHUIJO-UHFFFAOYSA-N
MW257.08 g/mol
LogP1.97
Rot. Bonds2

About 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide

2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 690470) has the molecular formula C9H6Cl2N4O and a molecular weight of 257.08 g/mol. Its IUPAC name is 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID690470
Molecular FormulaC9H6Cl2N4O
Molecular Weight257.08 g/mol
Exact Mass255.99
IUPAC Name2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H6Cl2N4O/c10-6-1-2-8(11)7(3-6)9(16)14-15-4-12-13-5-15/h1-5H,(H,14,16)
InChIKeyKWXSWZPUOHUIJO-UHFFFAOYSA-N
XLogP1.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814664
5-bromo-2-chloro-N-(1,2,4-triazol-4-yl)benzamide
CID 977963
N-(1,2,4)Triazol-4-YL-benzamide
CID 676579
3-chloro-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 807494
4-Chloro-N-[1,2,4]triazol-4-yl-benzamide
CID 814676
3,4-dichloro-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 3432676
2,4-dichloro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3959697
2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 659923
4-fluoro-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814674
2-chloro-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 885905
2,5-dichloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide
CID 935984
(3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone
CID 892383

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide (CID 690470) is 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide is O=C(Nn1cnnc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is KWXSWZPUOHUIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4O/c10-6-1-2-8(11)7(3-6)9(16)14-15-4-12-13-5-15/h1-5H,(H,14,16).
What are the key properties of 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide?
2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 257.08 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 690470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).