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

C14H11N5O — CID 66505520

IUPAC2-pyridin-4-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESO=C1CCCc2c1cnc1nc(-c3ccncc3)nn21
InChIInChI=1S/C14H11N5O/c20-12-3-1-2-11-10(12)8-16-14-17-13(18-19(11)14)9-4-6-15-7-5-9/h4-8H,1-3H2
InChIKeyVVOMYXNVNJCWCP-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.71
Rot. Bonds1

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

2-pyridin-4-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 66505520) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-pyridin-4-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name2-pyridin-4-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
PubChem CID66505520
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name2-pyridin-4-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESO=C1CCCc2c1cnc1nc(-c3ccncc3)nn21
InChIInChI=1S/C14H11N5O/c20-12-3-1-2-11-10(12)8-16-14-17-13(18-19(11)14)9-4-6-15-7-5-9/h4-8H,1-3H2
InChIKeyVVOMYXNVNJCWCP-UHFFFAOYSA-N
XLogP1.71
TPSA73.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(4-methoxyphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505531
2-cyclohexyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505617
8-(4-fluorophenyl)-2-pyridin-3-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505847
11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 66498200
8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505822
4-pyridin-4-yl-11-(1,2,4-triazol-4-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 17036690
methyl 5-oxo-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
CID 103200466
8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505652
7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497840
ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 1419083
8-phenyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505888
11-butyl-4-pyridin-4-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 56737944

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 2-pyridin-4-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 66505520) is 2-pyridin-4-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 2-pyridin-4-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 2-pyridin-4-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is O=C1CCCc2c1cnc1nc(-c3ccncc3)nn21.
What is the InChIKey of 2-pyridin-4-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The InChIKey is VVOMYXNVNJCWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c20-12-3-1-2-11-10(12)8-16-14-17-13(18-19(11)14)9-4-6-15-7-5-9/h4-8H,1-3H2.
What are the key properties of 2-pyridin-4-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
2-pyridin-4-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 265.28 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66505520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).