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

C11H12ClN5O — CID 113421364

IUPAC2-[(6-chloropyridazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(Cc2ccc(Cl)nn2)nc2n1CCCC2
InChIInChI=1S/C11H12ClN5O/c12-9-5-4-8(13-14-9)7-17-11(18)16-6-2-1-3-10(16)15-17/h4-5H,1-3,6-7H2
InChIKeyFQBYVOYZCGDQJQ-UHFFFAOYSA-N
MW265.70 g/mol
LogP0.87
Rot. Bonds2

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

2-[(6-chloropyridazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 113421364) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-[(6-chloropyridazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(6-chloropyridazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID113421364
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name2-[(6-chloropyridazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(Cc2ccc(Cl)nn2)nc2n1CCCC2
InChIInChI=1S/C11H12ClN5O/c12-9-5-4-8(13-14-9)7-17-11(18)16-6-2-1-3-10(16)15-17/h4-5H,1-3,6-7H2
InChIKeyFQBYVOYZCGDQJQ-UHFFFAOYSA-N
XLogP0.87
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(6-chloropyridazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 113421364) is 2-[(6-chloropyridazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(6-chloropyridazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(6-chloropyridazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(Cc2ccc(Cl)nn2)nc2n1CCCC2.
What is the InChIKey of 2-[(6-chloropyridazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is FQBYVOYZCGDQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c12-9-5-4-8(13-14-9)7-17-11(18)16-6-2-1-3-10(16)15-17/h4-5H,1-3,6-7H2.
What are the key properties of 2-[(6-chloropyridazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(6-chloropyridazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 265.70 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 113421364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).