methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate

C12H10N4O2S — CID 8902218

IUPACmethyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate
SMILESCOC(=O)CSc1nc2c3ccccc3ncn2n1
InChIInChI=1S/C12H10N4O2S/c1-18-10(17)6-19-12-14-11-8-4-2-3-5-9(8)13-7-16(11)15-12/h2-5,7H,6H2,1H3
InChIKeyMFZBJZGCDGYMQT-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.54
Rot. Bonds3

About methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate

methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate (PubChem CID 8902218) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate.

Molecular Properties

Compound Namemethyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate
PubChem CID8902218
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Namemethyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate
SMILESCOC(=O)CSc1nc2c3ccccc3ncn2n1
InChIInChI=1S/C12H10N4O2S/c1-18-10(17)6-19-12-14-11-8-4-2-3-5-9(8)13-7-16(11)15-12/h2-5,7H,6H2,1H3
InChIKeyMFZBJZGCDGYMQT-UHFFFAOYSA-N
XLogP1.54
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate?
The IUPAC name of methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate (CID 8902218) is methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate.
What is the SMILES notation for methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate?
The canonical SMILES for methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate is COC(=O)CSc1nc2c3ccccc3ncn2n1.
What is the InChIKey of methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate?
The InChIKey is MFZBJZGCDGYMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-18-10(17)6-19-12-14-11-8-4-2-3-5-9(8)13-7-16(11)15-12/h2-5,7H,6H2,1H3.
What are the key properties of methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate?
methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate has a molecular weight of 274.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate is sourced from PubChem (CID 8902218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).