2-[2-[bis(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C12H18N4O3 — CID 62022291

IUPAC2-[2-[bis(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCN(CCO)CCO)nc2ccccn12
InChIInChI=1S/C12H18N4O3/c17-9-7-14(8-10-18)5-6-16-12(19)15-4-2-1-3-11(15)13-16/h1-4,17-18H,5-10H2
InChIKeyKASSFTSSGDILJG-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.22
Rot. Bonds7

About 2-[2-[bis(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-[bis(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62022291) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[2-[bis(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[bis(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62022291
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[2-[bis(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCN(CCO)CCO)nc2ccccn12
InChIInChI=1S/C12H18N4O3/c17-9-7-14(8-10-18)5-6-16-12(19)15-4-2-1-3-11(15)13-16/h1-4,17-18H,5-10H2
InChIKeyKASSFTSSGDILJG-UHFFFAOYSA-N
XLogP-1.22
TPSA83.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[bis(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62022291) is 2-[2-[bis(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[bis(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[bis(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCN(CCO)CCO)nc2ccccn12.
What is the InChIKey of 2-[2-[bis(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is KASSFTSSGDILJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-9-7-14(8-10-18)5-6-16-12(19)15-4-2-1-3-11(15)13-16/h1-4,17-18H,5-10H2.
What are the key properties of 2-[2-[bis(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[bis(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 266.30 g/mol, XLogP of -1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62022291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).