2-[2-(1-methoxypropan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C12H18N4O2 — CID 55087836

IUPAC2-[2-(1-methoxypropan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOCC(C)NCCn1nc2ccccn2c1=O
InChIInChI=1S/C12H18N4O2/c1-10(9-18-2)13-6-8-16-12(17)15-7-4-3-5-11(15)14-16/h3-5,7,10,13H,6,8-9H2,1-2H3
InChIKeyGFZLIFCTDXNSGB-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.12
Rot. Bonds6

About 2-[2-(1-methoxypropan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(1-methoxypropan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 55087836) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-(1-methoxypropan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(1-methoxypropan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID55087836
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[2-(1-methoxypropan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOCC(C)NCCn1nc2ccccn2c1=O
InChIInChI=1S/C12H18N4O2/c1-10(9-18-2)13-6-8-16-12(17)15-7-4-3-5-11(15)14-16/h3-5,7,10,13H,6,8-9H2,1-2H3
InChIKeyGFZLIFCTDXNSGB-UHFFFAOYSA-N
XLogP0.12
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxypropan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(1-methoxypropan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 55087836) is 2-[2-(1-methoxypropan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(1-methoxypropan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(1-methoxypropan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is COCC(C)NCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-(1-methoxypropan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is GFZLIFCTDXNSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-10(9-18-2)13-6-8-16-12(17)15-7-4-3-5-11(15)14-16/h3-5,7,10,13H,6,8-9H2,1-2H3.
What are the key properties of 2-[2-(1-methoxypropan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(1-methoxypropan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 250.30 g/mol, XLogP of 0.12, 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]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 55087836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).