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

C14H9N5O — CID 135736242

IUPAC2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2nc(-c3cccnc3)nn12
InChIInChI=1S/C14H9N5O/c20-14-16-11-6-2-1-5-10(11)13-17-12(18-19(13)14)9-4-3-7-15-8-9/h1-8H,(H,16,20)
InChIKeyMZVWOOJKIFXNDI-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.63
Rot. Bonds1

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

2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135736242) has the molecular formula C14H9N5O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135736242
Molecular FormulaC14H9N5O
Molecular Weight263.26 g/mol
Exact Mass263.08
IUPAC Name2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2nc(-c3cccnc3)nn12
InChIInChI=1S/C14H9N5O/c20-14-16-11-6-2-1-5-10(11)13-17-12(18-19(13)14)9-4-3-7-15-8-9/h1-8H,(H,16,20)
InChIKeyMZVWOOJKIFXNDI-UHFFFAOYSA-N
XLogP1.63
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135465884
2-methyl-5H,6H-(1,2,4)triazolo(1,5-c)quinazolin-5-one
CID 135463200
3-[3-(Pyridin-4-yl)-1,2,4-thiadiazol-5-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10335491
2-Pyridin-2-yl-6H-pyrazolo[1,5-c]quinazolin-5-one
CID 135433795
2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736247
4-(2-Fluorophenyl)-12-(pyridin-2-ylmethyl)-3,5,6,8,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 136035268
4-(2-Fluorophenyl)-12-(pyridin-3-ylmethyl)-3,5,6,8,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 136035276
(1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-o-tolyl-amine
CID 255410
N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)quinolin-6-amine
CID 24882115
N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)quinolin-3-amine
CID 24882198
1,6-Dimethyl-4-[(2-methylphenyl)amino]-1H-pyrazolo[3,4-D]pyrimidine
CID 219862
1-[5-(Benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
CID 4686951

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135736242) is 2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2ccccc2c2nc(-c3cccnc3)nn12.
What is the InChIKey of 2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is MZVWOOJKIFXNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O/c20-14-16-11-6-2-1-5-10(11)13-17-12(18-19(13)14)9-4-3-7-15-8-9/h1-8H,(H,16,20).
What are the key properties of 2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 263.26 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135736242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).