(3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone

C16H20F3N3O2 — CID 167900672

IUPAC(3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCOc1cc2c(nn1)CCN(C(=O)C1CCC(C(F)(F)F)CC1)C2
InChIInChI=1S/C16H20F3N3O2/c1-24-14-8-11-9-22(7-6-13(11)20-21-14)15(23)10-2-4-12(5-3-10)16(17,18)19/h8,10,12H,2-7,9H2,1H3
InChIKeyJMKZXFATVKEDME-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.74
Rot. Bonds2

About (3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone

(3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 167900672) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is (3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID167900672
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name(3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCOc1cc2c(nn1)CCN(C(=O)C1CCC(C(F)(F)F)CC1)C2
InChIInChI=1S/C16H20F3N3O2/c1-24-14-8-11-9-22(7-6-13(11)20-21-14)15(23)10-2-4-12(5-3-10)16(17,18)19/h8,10,12H,2-7,9H2,1H3
InChIKeyJMKZXFATVKEDME-UHFFFAOYSA-N
XLogP2.74
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone 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 (3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone (CID 167900672) is (3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone is COc1cc2c(nn1)CCN(C(=O)C1CCC(C(F)(F)F)CC1)C2.
What is the InChIKey of (3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is JMKZXFATVKEDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-24-14-8-11-9-22(7-6-13(11)20-21-14)15(23)10-2-4-12(5-3-10)16(17,18)19/h8,10,12H,2-7,9H2,1H3.
What are the key properties of (3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
(3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 343.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 167900672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).