2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H19N5O — CID 79230777

IUPAC2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCNc1cccc(Cn2nc3n(c2=O)CCCC3)n1
InChIInChI=1S/C14H19N5O/c1-2-15-12-7-5-6-11(16-12)10-19-14(20)18-9-4-3-8-13(18)17-19/h5-7H,2-4,8-10H2,1H3,(H,15,16)
InChIKeyONWOJYOCZMHPLD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.26
Rot. Bonds4

About 2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 79230777) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID79230777
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCNc1cccc(Cn2nc3n(c2=O)CCCC3)n1
InChIInChI=1S/C14H19N5O/c1-2-15-12-7-5-6-11(16-12)10-19-14(20)18-9-4-3-8-13(18)17-19/h5-7H,2-4,8-10H2,1H3,(H,15,16)
InChIKeyONWOJYOCZMHPLD-UHFFFAOYSA-N
XLogP1.26
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 79230777) is 2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCNc1cccc(Cn2nc3n(c2=O)CCCC3)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ONWOJYOCZMHPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-15-12-7-5-6-11(16-12)10-19-14(20)18-9-4-3-8-13(18)17-19/h5-7H,2-4,8-10H2,1H3,(H,15,16).
What are the key properties of 2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 273.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-2-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 79230777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).