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

C15H14N4O2S — CID 155673378

IUPACN-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CO)s3)n2n1)C1CC1
InChIInChI=1S/C15H14N4O2S/c20-8-10-6-7-12(22-10)11-2-1-3-13-16-15(18-19(11)13)17-14(21)9-4-5-9/h1-3,6-7,9,20H,4-5,8H2,(H,17,18,21)
InChIKeyCLLGPOGDXRZDRK-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.30
Rot. Bonds4

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

N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 155673378) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID155673378
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CO)s3)n2n1)C1CC1
InChIInChI=1S/C15H14N4O2S/c20-8-10-6-7-12(22-10)11-2-1-3-13-16-15(18-19(11)13)17-14(21)9-4-5-9/h1-3,6-7,9,20H,4-5,8H2,(H,17,18,21)
InChIKeyCLLGPOGDXRZDRK-UHFFFAOYSA-N
XLogP2.30
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 155673378) is N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(CO)s3)n2n1)C1CC1.
What is the InChIKey of N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is CLLGPOGDXRZDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c20-8-10-6-7-12(22-10)11-2-1-3-13-16-15(18-19(11)13)17-14(21)9-4-5-9/h1-3,6-7,9,20H,4-5,8H2,(H,17,18,21).
What are the key properties of N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 155673378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).