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

C13H10ClN5O — CID 23795774

IUPACN-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1nc2ncccn2n1
InChIInChI=1S/C13H10ClN5O/c14-10-4-2-9(3-5-10)8-16-12(20)11-17-13-15-6-1-7-19(13)18-11/h1-7H,8H2,(H,16,20)
InChIKeyHUJNEVSPLPATGQ-UHFFFAOYSA-N
MW287.71 g/mol
LogP1.71
Rot. Bonds3

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

N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 23795774) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID23795774
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC NameN-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1nc2ncccn2n1
InChIInChI=1S/C13H10ClN5O/c14-10-4-2-9(3-5-10)8-16-12(20)11-17-13-15-6-1-7-19(13)18-11/h1-7H,8H2,(H,16,20)
InChIKeyHUJNEVSPLPATGQ-UHFFFAOYSA-N
XLogP1.71
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824669
N-[2-[4-(dimethylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46981638
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824615
N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315733
N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315776
N-(2,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169206
4-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid
CID 58295516
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315778
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169262
N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 41351214
N-[2-(4-chlorophenyl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26516337
N-benzyl-1-(4-chlorophenyl)-1,2,4-triazole-3-carboxamide
CID 15944303

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 23795774) is N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1nc2ncccn2n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HUJNEVSPLPATGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-10-4-2-9(3-5-10)8-16-12(20)11-17-13-15-6-1-7-19(13)18-11/h1-7H,8H2,(H,16,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 23795774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).