N-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C15H14N4OS — CID 42597230

IUPACN-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1
InChIInChI=1S/C15H14N4OS/c1-9-5-8-12(21-9)11-3-2-4-13-16-15(18-19(11)13)17-14(20)10-6-7-10/h2-5,8,10H,6-7H2,1H3,(H,17,18,20)
InChIKeyKKVFPRYVGBLQHN-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.11
Rot. Bonds3

About N-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 42597230) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID42597230
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1
InChIInChI=1S/C15H14N4OS/c1-9-5-8-12(21-9)11-3-2-4-13-16-15(18-19(11)13)17-14(20)10-6-7-10/h2-5,8,10H,6-7H2,1H3,(H,17,18,20)
InChIKeyKKVFPRYVGBLQHN-UHFFFAOYSA-N
XLogP3.11
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 42597230) is N-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1.
What is the InChIKey of N-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is KKVFPRYVGBLQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9-5-8-12(21-9)11-3-2-4-13-16-15(18-19(11)13)17-14(20)10-6-7-10/h2-5,8,10H,6-7H2,1H3,(H,17,18,20).
What are the key properties of N-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 42597230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).