9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C14H8ClN5O — CID 135736244

IUPAC9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccc(Cl)cc2c2nc(-c3cccnc3)nn12
InChIInChI=1S/C14H8ClN5O/c15-9-3-4-11-10(6-9)13-18-12(8-2-1-5-16-7-8)19-20(13)14(21)17-11/h1-7H,(H,17,21)
InChIKeyOGZOTYWWPNCPEE-UHFFFAOYSA-N
MW297.71 g/mol
LogP2.29
Rot. Bonds1

About 9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135736244) has the molecular formula C14H8ClN5O and a molecular weight of 297.71 g/mol. Its IUPAC name is 9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135736244
Molecular FormulaC14H8ClN5O
Molecular Weight297.71 g/mol
Exact Mass297.04
IUPAC Name9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccc(Cl)cc2c2nc(-c3cccnc3)nn12
InChIInChI=1S/C14H8ClN5O/c15-9-3-4-11-10(6-9)13-18-12(8-2-1-5-16-7-8)19-20(13)14(21)17-11/h1-7H,(H,17,21)
InChIKeyOGZOTYWWPNCPEE-UHFFFAOYSA-N
XLogP2.29
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

PF-184563
CID 11237434
9-Chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-ol
CID 135736240
1-[8-Chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-yl]ethanone
CID 10345610
8-Chloro-1-(3,4,5,6-tetrahydro-2h-[1,2']bipyridinyl-4-yl)-5,6-dihydro4h-2,3,5,10b-tetraaza-benzo[e]azulene
CID 11326488
Methyl 8-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-5-carboxylate
CID 56672570
2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736242
9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736249
9-chloro-2-pyridin-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736250
9-Chloro-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5(3H)-one
CID 135778278
2-(Pyridin-4-yl)1,2,4-triazolo[1,5-c]quinazolin-5(6H)-one
CID 135799513
2-Benzyl-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
CID 135976288
9-chloro-2-(4-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136035280

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135736244) is 9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2ccc(Cl)cc2c2nc(-c3cccnc3)nn12.
What is the InChIKey of 9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is OGZOTYWWPNCPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN5O/c15-9-3-4-11-10(6-9)13-18-12(8-2-1-5-16-7-8)19-20(13)14(21)17-11/h1-7H,(H,17,21).
What are the key properties of 9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 297.71 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135736244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).