3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol

C12H12N4O2S — CID 47087479

IUPAC3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol
SMILESOCC(O)CSc1nc2c3ccccc3ncn2n1
InChIInChI=1S/C12H12N4O2S/c17-5-8(18)6-19-12-14-11-9-3-1-2-4-10(9)13-7-16(11)15-12/h1-4,7-8,17-18H,5-6H2
InChIKeyMDOQWCVUFXSZCD-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.72
Rot. Bonds4

About 3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol

3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol (PubChem CID 47087479) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol.

Molecular Properties

Compound Name3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol
PubChem CID47087479
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol
SMILESOCC(O)CSc1nc2c3ccccc3ncn2n1
InChIInChI=1S/C12H12N4O2S/c17-5-8(18)6-19-12-14-11-9-3-1-2-4-10(9)13-7-16(11)15-12/h1-4,7-8,17-18H,5-6H2
InChIKeyMDOQWCVUFXSZCD-UHFFFAOYSA-N
XLogP0.72
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol 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-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 17490808
methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate
CID 8902218
N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 17492618
N-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 17475609
N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 44597359
2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 142915531
3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropane-1,2-diol
CID 21003265
3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol
CID 2827673
2-methyl-3-quinolin-4-ylsulfanylpropan-1-ol
CID 66105524
2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889904
3-phthalazin-1-ylsulfanylpropane-1,2-diol
CID 79682620
2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 86806672

Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol?
The IUPAC name of 3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol (CID 47087479) is 3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol.
What is the SMILES notation for 3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol?
The canonical SMILES for 3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol is OCC(O)CSc1nc2c3ccccc3ncn2n1.
What is the InChIKey of 3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol?
The InChIKey is MDOQWCVUFXSZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c17-5-8(18)6-19-12-14-11-9-3-1-2-4-10(9)13-7-16(11)15-12/h1-4,7-8,17-18H,5-6H2.
What are the key properties of 3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol?
3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol has a molecular weight of 276.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol is sourced from PubChem (CID 47087479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).