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

C12H14N4O2 — CID 47228598

IUPACN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-3-carboxamide
SMILESO=C(NCc1nnc2n1CCCC2)c1ccoc1
InChIInChI=1S/C12H14N4O2/c17-12(9-4-6-18-8-9)13-7-11-15-14-10-3-1-2-5-16(10)11/h4,6,8H,1-3,5,7H2,(H,13,17)
InChIKeyNLPTXDFCIOLRLR-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.14
Rot. Bonds3

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

N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-3-carboxamide (PubChem CID 47228598) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-3-carboxamide
PubChem CID47228598
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-3-carboxamide
SMILESO=C(NCc1nnc2n1CCCC2)c1ccoc1
InChIInChI=1S/C12H14N4O2/c17-12(9-4-6-18-8-9)13-7-11-15-14-10-3-1-2-5-16(10)11/h4,6,8H,1-3,5,7H2,(H,13,17)
InChIKeyNLPTXDFCIOLRLR-UHFFFAOYSA-N
XLogP1.14
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.14
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)furan-3-carboxamide?
The IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-3-carboxamide (CID 47228598) is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-3-carboxamide is O=C(NCc1nnc2n1CCCC2)c1ccoc1.
What is the InChIKey of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-3-carboxamide?
The InChIKey is NLPTXDFCIOLRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(9-4-6-18-8-9)13-7-11-15-14-10-3-1-2-5-16(10)11/h4,6,8H,1-3,5,7H2,(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)furan-3-carboxamide?
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.14, 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)furan-3-carboxamide is sourced from PubChem (CID 47228598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).