1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C16H14N4O2 — CID 17091379

IUPAC1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCc1nnc2n(Cc3ccco3)c(=O)c3ccccc3n12
InChIInChI=1S/C16H14N4O2/c1-2-14-17-18-16-19(10-11-6-5-9-22-11)15(21)12-7-3-4-8-13(12)20(14)16/h3-9H,2,10H2,1H3
InChIKeyVAUXOZWBQLBGAJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.25
Rot. Bonds3

About 1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 17091379) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID17091379
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCc1nnc2n(Cc3ccco3)c(=O)c3ccccc3n12
InChIInChI=1S/C16H14N4O2/c1-2-14-17-18-16-19(10-11-6-5-9-22-11)15(21)12-7-3-4-8-13(12)20(14)16/h3-9H,2,10H2,1H3
InChIKeyVAUXOZWBQLBGAJ-UHFFFAOYSA-N
XLogP2.25
TPSA65.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 12957684
4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091375
1-(chloromethyl)-4-pentyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2090922
3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]propanamide
CID 20880960
1-ethyl-4-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091370
N-(furan-2-ylmethyl)-N-methyl-2-[[4-(3-methylbutyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide
CID 31226300
N-(furan-2-ylmethyl)-2-[(5-oxo-4-pentyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
CID 42981570
4-ethyl-1-[(2-fluoroanilino)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 51224826
4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091359
1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091365
1-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 4618338
4-ethyl-1-[(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 127410058

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 17091379) is 1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CCc1nnc2n(Cc3ccco3)c(=O)c3ccccc3n12.
What is the InChIKey of 1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is VAUXOZWBQLBGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-2-14-17-18-16-19(10-11-6-5-9-22-11)15(21)12-7-3-4-8-13(12)20(14)16/h3-9H,2,10H2,1H3.
What are the key properties of 1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 294.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 17091379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).