9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C13H7ClN4O2 — CID 135554424

IUPAC9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIInChI=1S/C13H7ClN4O2/c14-7-3-4-9-8(6-7)12-16-11(10-2-1-5-20-10)17-18(12)13(19)15-9/h1-6H,(H,15,19)
InChIKeyXEVZWKHGVYHGAM-UHFFFAOYSA-N
MW286.68 g/mol
LogP2.48
Rot. Bonds1

About 9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135554424) has the molecular formula C13H7ClN4O2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135554424
Molecular FormulaC13H7ClN4O2
Molecular Weight286.68 g/mol
Exact Mass286.03
IUPAC Name9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIInChI=1S/C13H7ClN4O2/c14-7-3-4-9-8(6-7)12-16-11(10-2-1-5-20-10)17-18(12)13(19)15-9/h1-6H,(H,15,19)
InChIKeyXEVZWKHGVYHGAM-UHFFFAOYSA-N
XLogP2.48
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one with MolForge

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Related Compounds

Mrs-1220
CID 393595
9-Chloro-2-(2-furanyl)(1,2,4)triazolo(1,5-c)quinazolin-5-amine
CID 2690
Mrs1177
CID 10045876
Mrs1186
CID 10065929
1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(3-chloro-phenyl)-urea
CID 10225178
1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(4-methoxy-phenyl)-urea
CID 10296638
9-Chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;methanesulfonic acid
CID 14031927
N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2,2-diphenyl-acetamide
CID 10552717
(S)-N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenyl-propionamide
CID 10621898
(R)-N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenyl-propionamide
CID 11742718
N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2,2-dimethyl-propionamide
CID 10474279
N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-butyramide
CID 10594397

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135554424) is 9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccco3)nn12.
What is the InChIKey of 9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is XEVZWKHGVYHGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4O2/c14-7-3-4-9-8(6-7)12-16-11(10-2-1-5-20-10)17-18(12)13(19)15-9/h1-6H,(H,15,19).
What are the key properties of 9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 286.68 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135554424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).