7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H16N6O2 — CID 27832237

IUPAC7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3cccc(N4CCCC4=O)c3)nn12
InChIInChI=1S/C17H16N6O2/c1-11-7-8-18-17-20-15(21-23(11)17)16(25)19-12-4-2-5-13(10-12)22-9-3-6-14(22)24/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,19,25)
InChIKeyXODOKUYOSXYHLR-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.81
Rot. Bonds3

About 7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 27832237) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID27832237
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3cccc(N4CCCC4=O)c3)nn12
InChIInChI=1S/C17H16N6O2/c1-11-7-8-18-17-20-15(21-23(11)17)16(25)19-12-4-2-5-13(10-12)22-9-3-6-14(22)24/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,19,25)
InChIKeyXODOKUYOSXYHLR-UHFFFAOYSA-N
XLogP1.81
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
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3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
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3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 25472925
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 8589872
5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
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1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 38713115
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 27832237) is 7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)Nc3cccc(N4CCCC4=O)c3)nn12.
What is the InChIKey of 7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XODOKUYOSXYHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-11-7-8-18-17-20-15(21-23(11)17)16(25)19-12-4-2-5-13(10-12)22-9-3-6-14(22)24/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,19,25).
What are the key properties of 7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 27832237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).