N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H19N5O — CID 2476813

IUPACN-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCN(C(=O)c1nc2nccc(C)n2n1)c1ccccc1
InChIInChI=1S/C17H19N5O/c1-3-4-12-21(14-8-6-5-7-9-14)16(23)15-19-17-18-11-10-13(2)22(17)20-15/h5-11H,3-4,12H2,1-2H3
InChIKeyHARQYRUSOSMOQC-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.88
Rot. Bonds5

About N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2476813) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2476813
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCN(C(=O)c1nc2nccc(C)n2n1)c1ccccc1
InChIInChI=1S/C17H19N5O/c1-3-4-12-21(14-8-6-5-7-9-14)16(23)15-19-17-18-11-10-13(2)22(17)20-15/h5-11H,3-4,12H2,1-2H3
InChIKeyHARQYRUSOSMOQC-UHFFFAOYSA-N
XLogP2.88
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Zaleplon
CID 5719
2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]acetamide
CID 24768411
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768412
2-Methyl-7-(2-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 610950
7-[4-(4-Fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1966878
1,5-Dimethyl-2-phenyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrazol-3-one
CID 1315303
1-{5-Methyl-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL}-4-phenylpiperazine
CID 1088125
[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2472388
7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 3906266
N-[4-(diethylamino)phenyl]-7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1093908
2,5,7-Trimethyl-6-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidine
CID 3242799
3-[(4-Phenyl-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 1939424

Frequently Asked Questions

What is the IUPAC name of N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2476813) is N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCCCN(C(=O)c1nc2nccc(C)n2n1)c1ccccc1.
What is the InChIKey of N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HARQYRUSOSMOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-4-12-21(14-8-6-5-7-9-14)16(23)15-19-17-18-11-10-13(2)22(17)20-15/h5-11H,3-4,12H2,1-2H3.
What are the key properties of N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2476813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).