5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one

C21H17N5O — CID 44512602

IUPAC5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one
SMILESO=C1c2c(nnn2Cc2ccc3ncccc3c2)CCN1c1ccccc1
InChIInChI=1S/C21H17N5O/c27-21-20-19(10-12-25(21)17-6-2-1-3-7-17)23-24-26(20)14-15-8-9-18-16(13-15)5-4-11-22-18/h1-9,11,13H,10,12,14H2
InChIKeyZSFSLLGRLMODAE-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.08
Rot. Bonds3

About 5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one

5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one (PubChem CID 44512602) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one
PubChem CID44512602
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one
SMILESO=C1c2c(nnn2Cc2ccc3ncccc3c2)CCN1c1ccccc1
InChIInChI=1S/C21H17N5O/c27-21-20-19(10-12-25(21)17-6-2-1-3-7-17)23-24-26(20)14-15-8-9-18-16(13-15)5-4-11-22-18/h1-9,11,13H,10,12,14H2
InChIKeyZSFSLLGRLMODAE-UHFFFAOYSA-N
XLogP3.08
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one (CID 44512602) is 5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one is O=C1c2c(nnn2Cc2ccc3ncccc3c2)CCN1c1ccccc1.
What is the InChIKey of 5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one?
The InChIKey is ZSFSLLGRLMODAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c27-21-20-19(10-12-25(21)17-6-2-1-3-7-17)23-24-26(20)14-15-8-9-18-16(13-15)5-4-11-22-18/h1-9,11,13H,10,12,14H2.
What are the key properties of 5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one?
5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one has a molecular weight of 355.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 44512602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).