2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H21N5O2 — CID 81497209

IUPAC2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(N)C1CN(CCn2nc3ccccn3c2=O)CCO1
InChIInChI=1S/C14H21N5O2/c1-11(15)12-10-17(8-9-21-12)6-7-19-14(20)18-5-3-2-4-13(18)16-19/h2-5,11-12H,6-10,15H2,1H3
InChIKeySERWOQRRHHQITN-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.46
Rot. Bonds4

About 2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 81497209) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID81497209
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(N)C1CN(CCn2nc3ccccn3c2=O)CCO1
InChIInChI=1S/C14H21N5O2/c1-11(15)12-10-17(8-9-21-12)6-7-19-14(20)18-5-3-2-4-13(18)16-19/h2-5,11-12H,6-10,15H2,1H3
InChIKeySERWOQRRHHQITN-UHFFFAOYSA-N
XLogP-0.46
TPSA77.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 81497209) is 2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC(N)C1CN(CCn2nc3ccccn3c2=O)CCO1.
What is the InChIKey of 2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is SERWOQRRHHQITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-11(15)12-10-17(8-9-21-12)6-7-19-14(20)18-5-3-2-4-13(18)16-19/h2-5,11-12H,6-10,15H2,1H3.
What are the key properties of 2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 291.35 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 81497209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).