6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one

C16H17N5O — CID 663883

IUPAC6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1ncnn1C2c1ccccn1
InChIInChI=1S/C16H17N5O/c1-16(2)7-11-13(12(22)8-16)14(10-5-3-4-6-17-10)21-15(20-11)18-9-19-21/h3-6,9,14H,7-8H2,1-2H3,(H,18,19,20)
InChIKeyAXINRORZJNPDMX-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.33
Rot. Bonds1

About 6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one

6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one (PubChem CID 663883) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
PubChem CID663883
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1ncnn1C2c1ccccn1
InChIInChI=1S/C16H17N5O/c1-16(2)7-11-13(12(22)8-16)14(10-5-3-4-6-17-10)21-15(20-11)18-9-19-21/h3-6,9,14H,7-8H2,1-2H3,(H,18,19,20)
InChIKeyAXINRORZJNPDMX-UHFFFAOYSA-N
XLogP2.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CID 663883) is 6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one is CC1(C)CC(=O)C2=C(C1)Nc1ncnn1C2c1ccccn1.
What is the InChIKey of 6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The InChIKey is AXINRORZJNPDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-16(2)7-11-13(12(22)8-16)14(10-5-3-4-6-17-10)21-15(20-11)18-9-19-21/h3-6,9,14H,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of 6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one has a molecular weight of 295.35 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 663883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).