7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline

C22H20N6O — CID 143611235

IUPAC7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline
SMILESCc1ccc2c(c1)NC=NC2OC(C)c1nnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C22H20N6O/c1-14-8-9-17-19(12-14)23-13-24-22(17)29-15(2)21-26-25-20-11-10-18(27-28(20)21)16-6-4-3-5-7-16/h3-13,15,22H,1-2H3,(H,23,24)
InChIKeyBJCVJCODTPIYBR-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.33
Rot. Bonds4

About 7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline

7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline (PubChem CID 143611235) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline.

Molecular Properties

Compound Name7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline
PubChem CID143611235
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline
SMILESCc1ccc2c(c1)NC=NC2OC(C)c1nnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C22H20N6O/c1-14-8-9-17-19(12-14)23-13-24-22(17)29-15(2)21-26-25-20-11-10-18(27-28(20)21)16-6-4-3-5-7-16/h3-13,15,22H,1-2H3,(H,23,24)
InChIKeyBJCVJCODTPIYBR-UHFFFAOYSA-N
XLogP4.33
TPSA76.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline with MolForge

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

Launch Full Analysis

Related Compounds

(1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 99982506
(1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 94781728
6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982435
1-[6-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 102567904
6-(3-butoxyphenyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 69187154
3-methyl-6-phenylimidazo[1,2-b]pyridazine
CID 13112863
3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 50905756
(8aS)-2-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxy]ethyl]-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 126491180
(1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine
CID 99982532
1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 82167159
N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2-phenoxyacetamide
CID 91893499
1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol
CID 76618478

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline?
The IUPAC name of 7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline (CID 143611235) is 7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline.
What is the SMILES notation for 7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline?
The canonical SMILES for 7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline is Cc1ccc2c(c1)NC=NC2OC(C)c1nnc2ccc(-c3ccccc3)nn12.
What is the InChIKey of 7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline?
The InChIKey is BJCVJCODTPIYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-14-8-9-17-19(12-14)23-13-24-22(17)29-15(2)21-26-25-20-11-10-18(27-28(20)21)16-6-4-3-5-7-16/h3-13,15,22H,1-2H3,(H,23,24).
What are the key properties of 7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline?
7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline has a molecular weight of 384.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline is sourced from PubChem (CID 143611235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).