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

C13H16N4O — CID 107078725

IUPAC3-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridin-2-one
SMILESCc1cccn(Cc2nnc3n2CCCC3)c1=O
InChIInChI=1S/C13H16N4O/c1-10-5-4-7-16(13(10)18)9-12-15-14-11-6-2-3-8-17(11)12/h4-5,7H,2-3,6,8-9H2,1H3
InChIKeyBINZXWBFZMCMEY-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.13
Rot. Bonds2

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

3-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridin-2-one (PubChem CID 107078725) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridin-2-one
PubChem CID107078725
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridin-2-one
SMILESCc1cccn(Cc2nnc3n2CCCC3)c1=O
InChIInChI=1S/C13H16N4O/c1-10-5-4-7-16(13(10)18)9-12-15-14-11-6-2-3-8-17(11)12/h4-5,7H,2-3,6,8-9H2,1H3
InChIKeyBINZXWBFZMCMEY-UHFFFAOYSA-N
XLogP1.13
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridin-2-one?
The IUPAC name of 3-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridin-2-one (CID 107078725) is 3-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridin-2-one is Cc1cccn(Cc2nnc3n2CCCC3)c1=O.
What is the InChIKey of 3-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridin-2-one?
The InChIKey is BINZXWBFZMCMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-5-4-7-16(13(10)18)9-12-15-14-11-6-2-3-8-17(11)12/h4-5,7H,2-3,6,8-9H2,1H3.
What are the key properties of 3-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridin-2-one?
3-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridin-2-one has a molecular weight of 244.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 107078725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).