2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

C14H12N4O2 — CID 66505651

IUPAC2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCC1CC(=O)c2cnc3nc(-c4ccco4)nn3c2C1
InChIInChI=1S/C14H12N4O2/c1-8-5-10-9(11(19)6-8)7-15-14-16-13(17-18(10)14)12-3-2-4-20-12/h2-4,7-8H,5-6H2,1H3
InChIKeyCXPBQTCZNNSDOC-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.15
Rot. Bonds1

About 2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 66505651) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
PubChem CID66505651
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCC1CC(=O)c2cnc3nc(-c4ccco4)nn3c2C1
InChIInChI=1S/C14H12N4O2/c1-8-5-10-9(11(19)6-8)7-15-14-16-13(17-18(10)14)12-3-2-4-20-12/h2-4,7-8H,5-6H2,1H3
InChIKeyCXPBQTCZNNSDOC-UHFFFAOYSA-N
XLogP2.15
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one with MolForge

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Related Compounds

8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505652
8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505620
8-phenyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505888
8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66507732
8-(4-fluorophenyl)-2-pyridin-3-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505847
2-(4-methoxyphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505531
8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505880
2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66506060
2-(furan-2-yl)-7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56923224
2-pyridin-4-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505520
(14R)-4-(furan-2-yl)-7,14-dimethyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
CID 2034818
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69312245

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 66505651) is 2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is CC1CC(=O)c2cnc3nc(-c4ccco4)nn3c2C1.
What is the InChIKey of 2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The InChIKey is CXPBQTCZNNSDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-5-10-9(11(19)6-8)7-15-14-16-13(17-18(10)14)12-3-2-4-20-12/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 268.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66505651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).