8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

C9H8N4O — CID 1476963

IUPAC8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESO=C1CCCc2c1cnc1ncnn21
InChIInChI=1S/C9H8N4O/c14-8-3-1-2-7-6(8)4-10-9-11-5-12-13(7)9/h4-5H,1-3H2
InChIKeyQMCFBAYSPJNHHZ-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.64
Rot. Bonds

About 8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 1476963) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
PubChem CID1476963
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESO=C1CCCc2c1cnc1ncnn21
InChIInChI=1S/C9H8N4O/c14-8-3-1-2-7-6(8)4-10-9-11-5-12-13(7)9/h4-5H,1-3H2
InChIKeyQMCFBAYSPJNHHZ-UHFFFAOYSA-N
XLogP0.64
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 1476963) is 8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is O=C1CCCc2c1cnc1ncnn21.
What is the InChIKey of 8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The InChIKey is QMCFBAYSPJNHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c14-8-3-1-2-7-6(8)4-10-9-11-5-12-13(7)9/h4-5H,1-3H2.
What are the key properties of 8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 188.19 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 1476963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).