N-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide

C11H12ClN5O — CID 114256390

IUPACN-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)Nc2cnc(Cl)cc2C)n[nH]1
InChIInChI=1S/C11H12ClN5O/c1-3-9-15-10(17-16-9)11(18)14-7-5-13-8(12)4-6(7)2/h4-5H,3H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyJVIJTKOBTOJCFM-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.98
Rot. Bonds3

About N-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide

N-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 114256390) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID114256390
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC NameN-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)Nc2cnc(Cl)cc2C)n[nH]1
InChIInChI=1S/C11H12ClN5O/c1-3-9-15-10(17-16-9)11(18)14-7-5-13-8(12)4-6(7)2/h4-5H,3H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyJVIJTKOBTOJCFM-UHFFFAOYSA-N
XLogP1.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide
CID 113262953
N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107593512
N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 130163146
N-(3-bromo-2-methylphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 107629541
3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 113447474
6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 113263005
N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
CID 113286068
N-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
CID 130497741
N-(6-chloro-4-methyl-3-pyridinyl)-2,4-dihydroxybenzamide
CID 113266619
N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide
CID 114256408
3-[2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]phenyl]propanoic acid
CID 107272421
N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 113263016

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide (CID 114256390) is N-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)Nc2cnc(Cl)cc2C)n[nH]1.
What is the InChIKey of N-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is JVIJTKOBTOJCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-3-9-15-10(17-16-9)11(18)14-7-5-13-8(12)4-6(7)2/h4-5H,3H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of N-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
N-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 114256390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).