N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C11H9N5OS — CID 821815

IUPACN-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cccs1)c1nc2ncccn2n1
InChIInChI=1S/C11H9N5OS/c17-10(13-7-8-3-1-6-18-8)9-14-11-12-4-2-5-16(11)15-9/h1-6H,7H2,(H,13,17)
InChIKeyTVFCEYOICRQJFG-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.12
Rot. Bonds3

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

N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 821815) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID821815
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC NameN-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cccs1)c1nc2ncccn2n1
InChIInChI=1S/C11H9N5OS/c17-10(13-7-8-3-1-6-18-8)9-14-11-12-4-2-5-16(11)15-9/h1-6H,7H2,(H,13,17)
InChIKeyTVFCEYOICRQJFG-UHFFFAOYSA-N
XLogP1.12
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 6866051
3-chloro-N-(2-thienylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256185
N-(thiophen-2-ylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2374635
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 7708113
N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1253427
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pyrazolo[1,5-a]pyrimidin-7-ylacetamide
CID 72009098
7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2545222
5-Thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 14685636
2-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 53618366
1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 134799375
1-(2-(2-(pyrimidin-2-yl)-1H-imidazol-1-yl)ethyl)-3-(thiophen-2-ylmethyl)urea
CID 71808251
6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2982091

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 821815) is N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1cccs1)c1nc2ncccn2n1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is TVFCEYOICRQJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c17-10(13-7-8-3-1-6-18-8)9-14-11-12-4-2-5-16(11)15-9/h1-6H,7H2,(H,13,17).
What are the key properties of N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 259.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 821815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).