N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C13H10ClN5O — CID 66505352

IUPACN-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2ncnn2cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN5O/c1-8-11(6-19-13(17-8)15-7-16-19)12(20)18-10-4-2-9(14)3-5-10/h2-7H,1H3,(H,18,20)
InChIKeyOUOWNQARJQCPKX-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.34
Rot. Bonds2

About N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 66505352) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID66505352
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC NameN-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2ncnn2cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN5O/c1-8-11(6-19-13(17-8)15-7-16-19)12(20)18-10-4-2-9(14)3-5-10/h2-7H,1H3,(H,18,20)
InChIKeyOUOWNQARJQCPKX-UHFFFAOYSA-N
XLogP2.34
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
CID 53080138
N-(4-chlorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504083
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
N-(4-chlorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5046966
N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2516944
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
CID 8819437
5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide
CID 166238811
4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784
3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253003
N-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide
CID 18191318
N-(4-chlorophenyl)-2,3-dimethylimidazo[1,2-b]pyridazine-6-carboxamide
CID 163353195

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 66505352) is N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nc2ncnn2cc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is OUOWNQARJQCPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c1-8-11(6-19-13(17-8)15-7-16-19)12(20)18-10-4-2-9(14)3-5-10/h2-7H,1H3,(H,18,20).
What are the key properties of N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 66505352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).