6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline

C19H15N7S — CID 139321401

IUPAC6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline
SMILESc1ccc(Sc2cnc3c(n2)N(Cc2ccc4ncccc4c2)NN3)nc1
InChIInChI=1S/C19H15N7S/c1-2-8-21-16(5-1)27-17-11-22-18-19(23-17)26(25-24-18)12-13-6-7-15-14(10-13)4-3-9-20-15/h1-11,25H,12H2,(H,22,24)
InChIKeyBVMGWGHOYFSCET-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.42
Rot. Bonds4

About 6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline

6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline (PubChem CID 139321401) has the molecular formula C19H15N7S and a molecular weight of 373.45 g/mol. Its IUPAC name is 6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline
PubChem CID139321401
Molecular FormulaC19H15N7S
Molecular Weight373.45 g/mol
Exact Mass373.11
IUPAC Name6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline
SMILESc1ccc(Sc2cnc3c(n2)N(Cc2ccc4ncccc4c2)NN3)nc1
InChIInChI=1S/C19H15N7S/c1-2-8-21-16(5-1)27-17-11-22-18-19(23-17)26(25-24-18)12-13-6-7-15-14(10-13)4-3-9-20-15/h1-11,25H,12H2,(H,22,24)
InChIKeyBVMGWGHOYFSCET-UHFFFAOYSA-N
XLogP3.42
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline with MolForge

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

Launch Full Analysis

Related Compounds

N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine
CID 118214061
6-[[5-(1H-pyrazol-5-yl)-1,2-dihydrotriazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 118214035
N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide
CID 143578589
N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine
CID 118214070
5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde
CID 118214051
N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine
CID 167146850
6-[(4-methylidene-1-pyridinyl)methyl]quinoline
CID 142002003
2-(quinolin-6-ylmethyl)isoindole-1,3-dione
CID 23079294
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24852078
6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 53261938
2-fluoro-N-(2-methylpropyl)-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123849268

Frequently Asked Questions

What is the IUPAC name of 6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline?
The IUPAC name of 6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline (CID 139321401) is 6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline.
What is the SMILES notation for 6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline?
The canonical SMILES for 6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline is c1ccc(Sc2cnc3c(n2)N(Cc2ccc4ncccc4c2)NN3)nc1.
What is the InChIKey of 6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline?
The InChIKey is BVMGWGHOYFSCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7S/c1-2-8-21-16(5-1)27-17-11-22-18-19(23-17)26(25-24-18)12-13-6-7-15-14(10-13)4-3-9-20-15/h1-11,25H,12H2,(H,22,24).
What are the key properties of 6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline?
6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline has a molecular weight of 373.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline is sourced from PubChem (CID 139321401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).