1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one

C19H31N7O2 — CID 166263244

IUPAC1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
SMILESCCN1CCN(CC)CCN(C(=O)CCc2nnc3ccc(OC)nn23)CC1
InChIInChI=1S/C19H31N7O2/c1-4-23-10-11-24(5-2)13-15-25(14-12-23)19(27)9-7-17-21-20-16-6-8-18(28-3)22-26(16)17/h6,8H,4-5,7,9-15H2,1-3H3
InChIKeyJFVPVBQRYVRZMD-UHFFFAOYSA-N
MW389.50 g/mol
LogP0.55
Rot. Bonds6

About 1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one

1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one (PubChem CID 166263244) has the molecular formula C19H31N7O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
PubChem CID166263244
Molecular FormulaC19H31N7O2
Molecular Weight389.50 g/mol
Exact Mass389.25
IUPAC Name1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
SMILESCCN1CCN(CC)CCN(C(=O)CCc2nnc3ccc(OC)nn23)CC1
InChIInChI=1S/C19H31N7O2/c1-4-23-10-11-24(5-2)13-15-25(14-12-23)19(27)9-7-17-21-20-16-6-8-18(28-3)22-26(16)17/h6,8H,4-5,7,9-15H2,1-3H3
InChIKeyJFVPVBQRYVRZMD-UHFFFAOYSA-N
XLogP0.55
TPSA79.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one 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

3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
CID 91970342
3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 56761905
1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
CID 166263146
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 124847077
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 20903933
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 96557614
1-(4-ethylpiperazin-1-yl)-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaen-5-yl]propan-1-one
CID 56685067
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
CID 20904102
1-(4-methylpiperazin-1-yl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one;hydrochloride
CID 126460416
4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide
CID 56761236
3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 126457851
(1S,9R)-11-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 75464732

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
The IUPAC name of 1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one (CID 166263244) is 1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one.
What is the SMILES notation for 1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
The canonical SMILES for 1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one is CCN1CCN(CC)CCN(C(=O)CCc2nnc3ccc(OC)nn23)CC1.
What is the InChIKey of 1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
The InChIKey is JFVPVBQRYVRZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O2/c1-4-23-10-11-24(5-2)13-15-25(14-12-23)19(27)9-7-17-21-20-16-6-8-18(28-3)22-26(16)17/h6,8H,4-5,7,9-15H2,1-3H3.
What are the key properties of 1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one has a molecular weight of 389.50 g/mol, XLogP of 0.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one is sourced from PubChem (CID 166263244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).