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

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Related Compounds

2-(quinolin-6-ylmethyl)isoindole-1,3-dione
CID 23079294
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4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986063
1-(quinolin-6-ylmethyl)indazol-3-amine
CID 62687491
5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine
CID 103098719
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
CID 59341838
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
3-methyl-1-(quinolin-6-ylmethyl)-1,4-diazepane-2,5-dione
CID 64881992
2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoic acid
CID 66994823
2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136907868
6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline
CID 54760085
6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 53261938

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).