2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C12H22N4O2 — CID 62936661

IUPAC2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOCC(C)NCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C12H22N4O2/c1-10(9-18-2)13-6-8-16-12(17)15-7-4-3-5-11(15)14-16/h10,13H,3-9H2,1-2H3
InChIKeyZLWWHBBBVCINHO-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.01
Rot. Bonds6

About 2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62936661) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62936661
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOCC(C)NCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C12H22N4O2/c1-10(9-18-2)13-6-8-16-12(17)15-7-4-3-5-11(15)14-16/h10,13H,3-9H2,1-2H3
InChIKeyZLWWHBBBVCINHO-UHFFFAOYSA-N
XLogP0.01
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62936661) is 2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is COCC(C)NCCn1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ZLWWHBBBVCINHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-10(9-18-2)13-6-8-16-12(17)15-7-4-3-5-11(15)14-16/h10,13H,3-9H2,1-2H3.
What are the key properties of 2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 254.33 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62936661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).