2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide

C15H24N6O3 — CID 102556543

IUPAC2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide
SMILESCC1C(=O)NCCN1C(=O)NCCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C15H24N6O3/c1-11-13(22)16-7-10-19(11)14(23)17-6-4-9-21-15(24)20-8-3-2-5-12(20)18-21/h11H,2-10H2,1H3,(H,16,22)(H,17,23)
InChIKeyFQTWMTVRGVCGLD-UHFFFAOYSA-N
MW336.40 g/mol
LogP-0.70
Rot. Bonds4

About 2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide

2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide (PubChem CID 102556543) has the molecular formula C15H24N6O3 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide
PubChem CID102556543
Molecular FormulaC15H24N6O3
Molecular Weight336.40 g/mol
Exact Mass336.19
IUPAC Name2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide
SMILESCC1C(=O)NCCN1C(=O)NCCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C15H24N6O3/c1-11-13(22)16-7-10-19(11)14(23)17-6-4-9-21-15(24)20-8-3-2-5-12(20)18-21/h11H,2-10H2,1H3,(H,16,22)(H,17,23)
InChIKeyFQTWMTVRGVCGLD-UHFFFAOYSA-N
XLogP-0.70
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide (CID 102556543) is 2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide is CC1C(=O)NCCN1C(=O)NCCCn1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide?
The InChIKey is FQTWMTVRGVCGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O3/c1-11-13(22)16-7-10-19(11)14(23)17-6-4-9-21-15(24)20-8-3-2-5-12(20)18-21/h11H,2-10H2,1H3,(H,16,22)(H,17,23).
What are the key properties of 2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide?
2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide has a molecular weight of 336.40 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 102556543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).