N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-5-methyl-2H-triazole-4-carboxamide

C15H11Cl2N5O — CID 119050424

IUPACN-[6-(2,4-dichlorophenyl)-3-pyridinyl]-5-methyl-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C15H11Cl2N5O/c1-8-14(21-22-20-8)15(23)19-10-3-5-13(18-7-10)11-4-2-9(16)6-12(11)17/h2-7H,1H3,(H,19,23)(H,20,21,22)
InChIKeyFWIRPTXWDNAZOY-UHFFFAOYSA-N
MW348.19 g/mol
LogP3.73
Rot. Bonds3

About N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-5-methyl-2H-triazole-4-carboxamide

N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-5-methyl-2H-triazole-4-carboxamide (PubChem CID 119050424) has the molecular formula C15H11Cl2N5O and a molecular weight of 348.19 g/mol. Its IUPAC name is N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-5-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2,4-dichlorophenyl)-3-pyridinyl]-5-methyl-2H-triazole-4-carboxamide
PubChem CID119050424
Molecular FormulaC15H11Cl2N5O
Molecular Weight348.19 g/mol
Exact Mass347.03
IUPAC NameN-[6-(2,4-dichlorophenyl)-3-pyridinyl]-5-methyl-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C15H11Cl2N5O/c1-8-14(21-22-20-8)15(23)19-10-3-5-13(18-7-10)11-4-2-9(16)6-12(11)17/h2-7H,1H3,(H,19,23)(H,20,21,22)
InChIKeyFWIRPTXWDNAZOY-UHFFFAOYSA-N
XLogP3.73
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide
CID 146090002
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691808
N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691761
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972
2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid
CID 118824898
5-chloro-N-(6-chloro-3-pyridinyl)-1H-indazole-3-carboxamide
CID 11449640
N-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide
CID 58639644
N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19510030
5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 133088231
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
5-chloro-2-hydroxy-N-(2-methylpyrimidin-5-yl)benzamide
CID 167975567
3-(2,4-dichlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509948

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-5-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-5-methyl-2H-triazole-4-carboxamide (CID 119050424) is N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-5-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-5-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-5-methyl-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-5-methyl-2H-triazole-4-carboxamide?
The InChIKey is FWIRPTXWDNAZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O/c1-8-14(21-22-20-8)15(23)19-10-3-5-13(18-7-10)11-4-2-9(16)6-12(11)17/h2-7H,1H3,(H,19,23)(H,20,21,22).
What are the key properties of N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-5-methyl-2H-triazole-4-carboxamide?
N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-5-methyl-2H-triazole-4-carboxamide has a molecular weight of 348.19 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-5-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 119050424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).