1-(benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one

C14H12N6O — CID 16669058

IUPAC1-(benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cn2nnc3ccccc32)c2cccnc21
InChIInChI=1S/C14H12N6O/c1-18-13-12(7-4-8-15-13)19(14(18)21)9-20-11-6-3-2-5-10(11)16-17-20/h2-8H,9H2,1H3
InChIKeyLHSKQJTXOFYBOM-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.99
Rot. Bonds2

About 1-(benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one

1-(benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 16669058) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID16669058
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name1-(benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cn2nnc3ccccc32)c2cccnc21
InChIInChI=1S/C14H12N6O/c1-18-13-12(7-4-8-15-13)19(14(18)21)9-20-11-6-3-2-5-10(11)16-17-20/h2-8H,9H2,1H3
InChIKeyLHSKQJTXOFYBOM-UHFFFAOYSA-N
XLogP0.99
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one (CID 16669058) is 1-(benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(Cn2nnc3ccccc32)c2cccnc21.
What is the InChIKey of 1-(benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is LHSKQJTXOFYBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c1-18-13-12(7-4-8-15-13)19(14(18)21)9-20-11-6-3-2-5-10(11)16-17-20/h2-8H,9H2,1H3.
What are the key properties of 1-(benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one?
1-(benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 280.29 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 16669058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).