N-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

C14H21N5O2 — CID 56703996

IUPACN-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESCCCN1CC(NC(=O)c2nnc3n2CCCC3)CC1=O
InChIInChI=1S/C14H21N5O2/c1-2-6-18-9-10(8-12(18)20)15-14(21)13-17-16-11-5-3-4-7-19(11)13/h10H,2-9H2,1H3,(H,15,21)
InChIKeyRSHVZDVSWZVORA-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.36
Rot. Bonds4

About N-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

N-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (PubChem CID 56703996) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
PubChem CID56703996
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESCCCN1CC(NC(=O)c2nnc3n2CCCC3)CC1=O
InChIInChI=1S/C14H21N5O2/c1-2-6-18-9-10(8-12(18)20)15-14(21)13-17-16-11-5-3-4-7-19(11)13/h10H,2-9H2,1H3,(H,15,21)
InChIKeyRSHVZDVSWZVORA-UHFFFAOYSA-N
XLogP0.36
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The IUPAC name of N-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (CID 56703996) is N-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The canonical SMILES for N-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is CCCN1CC(NC(=O)c2nnc3n2CCCC3)CC1=O.
What is the InChIKey of N-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The InChIKey is RSHVZDVSWZVORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-2-6-18-9-10(8-12(18)20)15-14(21)13-17-16-11-5-3-4-7-19(11)13/h10H,2-9H2,1H3,(H,15,21).
What are the key properties of N-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
N-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-1-propylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is sourced from PubChem (CID 56703996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).