N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiophene-2-carboxamide

C12H14N4OS — CID 71836698

IUPACN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1nnc2n1CCCC2)c1cccs1
InChIInChI=1S/C12H14N4OS/c17-12(9-4-3-7-18-9)13-8-11-15-14-10-5-1-2-6-16(10)11/h3-4,7H,1-2,5-6,8H2,(H,13,17)
InChIKeyFRCLHKIHQRCWPD-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.61
Rot. Bonds3

About N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiophene-2-carboxamide

N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 71836698) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiophene-2-carboxamide
PubChem CID71836698
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1nnc2n1CCCC2)c1cccs1
InChIInChI=1S/C12H14N4OS/c17-12(9-4-3-7-18-9)13-8-11-15-14-10-5-1-2-6-16(10)11/h3-4,7H,1-2,5-6,8H2,(H,13,17)
InChIKeyFRCLHKIHQRCWPD-UHFFFAOYSA-N
XLogP1.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiophene-2-carboxamide (CID 71836698) is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiophene-2-carboxamide is O=C(NCc1nnc2n1CCCC2)c1cccs1.
What is the InChIKey of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is FRCLHKIHQRCWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c17-12(9-4-3-7-18-9)13-8-11-15-14-10-5-1-2-6-16(10)11/h3-4,7H,1-2,5-6,8H2,(H,13,17).
What are the key properties of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiophene-2-carboxamide?
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 71836698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).