2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline

C19H16N6S — CID 54580514

IUPAC2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(SCc3nc4ccccc4n3C)n2n1
InChIInChI=1S/C19H16N6S/c1-12-20-18-13-7-3-4-8-14(13)22-19(25(18)23-12)26-11-17-21-15-9-5-6-10-16(15)24(17)2/h3-10H,11H2,1-2H3
InChIKeyJLAZCBBRKVKLED-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.76
Rot. Bonds3

About 2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline

2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 54580514) has the molecular formula C19H16N6S and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID54580514
Molecular FormulaC19H16N6S
Molecular Weight360.45 g/mol
Exact Mass360.12
IUPAC Name2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(SCc3nc4ccccc4n3C)n2n1
InChIInChI=1S/C19H16N6S/c1-12-20-18-13-7-3-4-8-14(13)22-19(25(18)23-12)26-11-17-21-15-9-5-6-10-16(15)24(17)2/h3-10H,11H2,1-2H3
InChIKeyJLAZCBBRKVKLED-UHFFFAOYSA-N
XLogP3.76
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline with MolForge

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Related Compounds

8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
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3-butylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole
CID 5752181
5-(1h-Benzimidazol-2-Ylmethylsulfanyl)-2-Methyl-[1,2,4]triazolo[1,5-C]quinazoline
CID 50993785
Diethyl-(2-indolo[2,3-b]quinoxalin-6-yl-ethyl)-amine
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(9-Allyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid
CID 3129877
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
4-[2-[(8-Fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine
CID 2990846
3-(3,5-Dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole
CID 6401200
6-propyl-6H-indolo[2,3-b]quinoxaline
CID 873559
3-(benzylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
CID 5285645
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one
CID 5310786

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline (CID 54580514) is 2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline is Cc1nc2c3ccccc3nc(SCc3nc4ccccc4n3C)n2n1.
What is the InChIKey of 2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is JLAZCBBRKVKLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6S/c1-12-20-18-13-7-3-4-8-14(13)22-19(25(18)23-12)26-11-17-21-15-9-5-6-10-16(15)24(17)2/h3-10H,11H2,1-2H3.
What are the key properties of 2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline?
2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 360.45 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 54580514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).