N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H10ClN5O — CID 2516944

IUPACN-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3ccc(Cl)cc3)nn12
InChIInChI=1S/C13H10ClN5O/c1-8-6-7-15-13-17-11(18-19(8)13)12(20)16-10-4-2-9(14)3-5-10/h2-7H,1H3,(H,16,20)
InChIKeyAHTOYIQTSDHUEG-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.34
Rot. Bonds2

About N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2516944) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2516944
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC NameN-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3ccc(Cl)cc3)nn12
InChIInChI=1S/C13H10ClN5O/c1-8-6-7-15-13-17-11(18-19(8)13)12(20)16-10-4-2-9(14)3-5-10/h2-7H,1H3,(H,16,20)
InChIKeyAHTOYIQTSDHUEG-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

[1-(4-chloroanilino)-1-oxopropan-2-yl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 42974621
7-methyl-N-(4-phenyldiazenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8886551
N-[(1S)-1-(4-chlorophenyl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8751718
N-[4-(4-ethoxyphenoxy)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8873482
N-[2-(4-chlorophenyl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26516337
7-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 55972632
7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17417131
N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17488366
7-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31508079
N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47143299
7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 26251367
N'-(3-chlorobenzoyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 8913368

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2516944) is N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)Nc3ccc(Cl)cc3)nn12.
What is the InChIKey of N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AHTOYIQTSDHUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c1-8-6-7-15-13-17-11(18-19(8)13)12(20)16-10-4-2-9(14)3-5-10/h2-7H,1H3,(H,16,20).
What are the key properties of N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-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)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2516944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).