2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide

C15H23N5O2 — CID 42954891

IUPAC2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CCn1nc2ccccn2c1=O)CC(=O)NC(C)C
InChIInChI=1S/C15H23N5O2/c1-4-18(11-14(21)16-12(2)3)9-10-20-15(22)19-8-6-5-7-13(19)17-20/h5-8,12H,4,9-11H2,1-3H3,(H,16,21)
InChIKeyGJVIHSQTDQFTOT-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.34
Rot. Bonds7

About 2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide (PubChem CID 42954891) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide
PubChem CID42954891
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CCn1nc2ccccn2c1=O)CC(=O)NC(C)C
InChIInChI=1S/C15H23N5O2/c1-4-18(11-14(21)16-12(2)3)9-10-20-15(22)19-8-6-5-7-13(19)17-20/h5-8,12H,4,9-11H2,1-3H3,(H,16,21)
InChIKeyGJVIHSQTDQFTOT-UHFFFAOYSA-N
XLogP0.34
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide (CID 42954891) is 2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide is CCN(CCn1nc2ccccn2c1=O)CC(=O)NC(C)C.
What is the InChIKey of 2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide?
The InChIKey is GJVIHSQTDQFTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-4-18(11-14(21)16-12(2)3)9-10-20-15(22)19-8-6-5-7-13(19)17-20/h5-8,12H,4,9-11H2,1-3H3,(H,16,21).
What are the key properties of 2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 305.38 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 42954891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).