5-(3-methyl-1,2-thiazol-5-yl)-3-(quinolin-8-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one

C19H16N6OS — CID 66647754

IUPAC5-(3-methyl-1,2-thiazol-5-yl)-3-(quinolin-8-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one
SMILESCc1cc(N2CCc3nnn(Cc4cccc5cccnc45)c3C2=O)sn1
InChIInChI=1S/C19H16N6OS/c1-12-10-16(27-22-12)24-9-7-15-18(19(24)26)25(23-21-15)11-14-5-2-4-13-6-3-8-20-17(13)14/h2-6,8,10H,7,9,11H2,1H3
InChIKeyIXCUZZNBKPCGCD-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.84
Rot. Bonds3

About 5-(3-methyl-1,2-thiazol-5-yl)-3-(quinolin-8-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one

5-(3-methyl-1,2-thiazol-5-yl)-3-(quinolin-8-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one (PubChem CID 66647754) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is 5-(3-methyl-1,2-thiazol-5-yl)-3-(quinolin-8-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-(3-methyl-1,2-thiazol-5-yl)-3-(quinolin-8-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one
PubChem CID66647754
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC Name5-(3-methyl-1,2-thiazol-5-yl)-3-(quinolin-8-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one
SMILESCc1cc(N2CCc3nnn(Cc4cccc5cccnc45)c3C2=O)sn1
InChIInChI=1S/C19H16N6OS/c1-12-10-16(27-22-12)24-9-7-15-18(19(24)26)25(23-21-15)11-14-5-2-4-13-6-3-8-20-17(13)14/h2-6,8,10H,7,9,11H2,1H3
InChIKeyIXCUZZNBKPCGCD-UHFFFAOYSA-N
XLogP2.84
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2-thiazol-5-yl)-3-(quinolin-8-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-(3-methyl-1,2-thiazol-5-yl)-3-(quinolin-8-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one (CID 66647754) is 5-(3-methyl-1,2-thiazol-5-yl)-3-(quinolin-8-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-(3-methyl-1,2-thiazol-5-yl)-3-(quinolin-8-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-(3-methyl-1,2-thiazol-5-yl)-3-(quinolin-8-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one is Cc1cc(N2CCc3nnn(Cc4cccc5cccnc45)c3C2=O)sn1.
What is the InChIKey of 5-(3-methyl-1,2-thiazol-5-yl)-3-(quinolin-8-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one?
The InChIKey is IXCUZZNBKPCGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-12-10-16(27-22-12)24-9-7-15-18(19(24)26)25(23-21-15)11-14-5-2-4-13-6-3-8-20-17(13)14/h2-6,8,10H,7,9,11H2,1H3.
What are the key properties of 5-(3-methyl-1,2-thiazol-5-yl)-3-(quinolin-8-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one?
5-(3-methyl-1,2-thiazol-5-yl)-3-(quinolin-8-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one has a molecular weight of 376.45 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2-thiazol-5-yl)-3-(quinolin-8-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 66647754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).