7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H20N6OS — CID 134025872

IUPAC7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NCC(c3cccs3)N3CCCC3)nn12
InChIInChI=1S/C17H20N6OS/c1-12-6-7-18-17-20-15(21-23(12)17)16(24)19-11-13(14-5-4-10-25-14)22-8-2-3-9-22/h4-7,10,13H,2-3,8-9,11H2,1H3,(H,19,24)
InChIKeySZYWIXSRABTSHZ-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.06
Rot. Bonds5

About 7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 134025872) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID134025872
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NCC(c3cccs3)N3CCCC3)nn12
InChIInChI=1S/C17H20N6OS/c1-12-6-7-18-17-20-15(21-23(12)17)16(24)19-11-13(14-5-4-10-25-14)22-8-2-3-9-22/h4-7,10,13H,2-3,8-9,11H2,1H3,(H,19,24)
InChIKeySZYWIXSRABTSHZ-UHFFFAOYSA-N
XLogP2.06
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-dimethyl-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 34940122
2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid
CID 66165203
3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 42940363
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 86917672
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46522611
4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46522629
5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51075751
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
CID 43354509
3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34979612

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 134025872) is 7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NCC(c3cccs3)N3CCCC3)nn12.
What is the InChIKey of 7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is SZYWIXSRABTSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-12-6-7-18-17-20-15(21-23(12)17)16(24)19-11-13(14-5-4-10-25-14)22-8-2-3-9-22/h4-7,10,13H,2-3,8-9,11H2,1H3,(H,19,24).
What are the key properties of 7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 134025872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).