2-methyl-5-(quinolin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline

C20H15N5S — CID 54586389

IUPAC2-methyl-5-(quinolin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(SCc3ccc4ccccc4n3)n2n1
InChIInChI=1S/C20H15N5S/c1-13-21-19-16-7-3-5-9-18(16)23-20(25(19)24-13)26-12-15-11-10-14-6-2-4-8-17(14)22-15/h2-11H,12H2,1H3
InChIKeyNUYJEGWRARPENQ-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.43
Rot. Bonds3

About 2-methyl-5-(quinolin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline

2-methyl-5-(quinolin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 54586389) has the molecular formula C20H15N5S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-methyl-5-(quinolin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-methyl-5-(quinolin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID54586389
Molecular FormulaC20H15N5S
Molecular Weight357.44 g/mol
Exact Mass357.10
IUPAC Name2-methyl-5-(quinolin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(SCc3ccc4ccccc4n3)n2n1
InChIInChI=1S/C20H15N5S/c1-13-21-19-16-7-3-5-9-18(16)23-20(25(19)24-13)26-12-15-11-10-14-6-2-4-8-17(14)22-15/h2-11H,12H2,1H3
InChIKeyNUYJEGWRARPENQ-UHFFFAOYSA-N
XLogP4.43
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Sgx-523
CID 24779724
8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
CID 2988303
3-butylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole
CID 5752181
2-(Methylthio)-7-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 2819177
5-(1h-Benzimidazol-2-Ylmethylsulfanyl)-2-Methyl-[1,2,4]triazolo[1,5-C]quinazoline
CID 50993785
3-Methylbenzyl 5H-[1,2,4]triazino[5,6-b]indol-3-yl sulfide
CID 5377944
5-Ethyl-8-fluoro-3-(2-piperidin-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole
CID 2987903
5-Methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-ylamine
CID 607943
3-(benzylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
CID 5285645
2-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)methyl]benzonitrile
CID 6401059
N,3-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 16023100
N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
CID 138857395

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(quinolin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-methyl-5-(quinolin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 54586389) is 2-methyl-5-(quinolin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-methyl-5-(quinolin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-methyl-5-(quinolin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline is Cc1nc2c3ccccc3nc(SCc3ccc4ccccc4n3)n2n1.
What is the InChIKey of 2-methyl-5-(quinolin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is NUYJEGWRARPENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5S/c1-13-21-19-16-7-3-5-9-18(16)23-20(25(19)24-13)26-12-15-11-10-14-6-2-4-8-17(14)22-15/h2-11H,12H2,1H3.
What are the key properties of 2-methyl-5-(quinolin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline?
2-methyl-5-(quinolin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 357.44 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(quinolin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 54586389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).