2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid

C11H8N4O2S — CID 2476033

IUPAC2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid
SMILESO=C(O)CSc1nnc2c3ccccc3ncn12
InChIInChI=1S/C11H8N4O2S/c16-9(17)5-18-11-14-13-10-7-3-1-2-4-8(7)12-6-15(10)11/h1-4,6H,5H2,(H,16,17)
InChIKeyWDVZOCQKPIZDDE-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.45
Rot. Bonds3

About 2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid

2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid (PubChem CID 2476033) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid
PubChem CID2476033
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid
SMILESO=C(O)CSc1nnc2c3ccccc3ncn12
InChIInChI=1S/C11H8N4O2S/c16-9(17)5-18-11-14-13-10-7-3-1-2-4-8(7)12-6-15(10)11/h1-4,6H,5H2,(H,16,17)
InChIKeyWDVZOCQKPIZDDE-UHFFFAOYSA-N
XLogP1.45
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(9-Allyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid
CID 3129877
1-[(5-Methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetone
CID 829542
1-[(5-Tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]propan-2-one
CID 3227439
Ethyl 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
CID 6401440
2-[(2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-phenylacetamide
CID 16299919
Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)-
CID 2736949
5-Phenyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 645307
(5-Methyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-acetic acid methyl ester
CID 864706
(5-Methyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-acetic acid isopropyl ester
CID 864707
2-{[1,2,4]Triazolo[4,3-a]quinolin-1-ylsulfanyl}acetonitrile
CID 1650639
2-Phenyl-5-(prop-2-en-1-ylsulfanyl)[1,2,4]triazolo[1,5-c]quinazoline
CID 1873052
Propan-2-yl 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
CID 3173710

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid?
The IUPAC name of 2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid (CID 2476033) is 2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid.
What is the SMILES notation for 2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid?
The canonical SMILES for 2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid is O=C(O)CSc1nnc2c3ccccc3ncn12.
What is the InChIKey of 2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid?
The InChIKey is WDVZOCQKPIZDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c16-9(17)5-18-11-14-13-10-7-3-1-2-4-8(7)12-6-15(10)11/h1-4,6H,5H2,(H,16,17).
What are the key properties of 2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid?
2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid has a molecular weight of 260.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid is sourced from PubChem (CID 2476033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).