6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine

C24H36N6O — CID 138578699

IUPAC6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine
SMILESCc1cnn(C)c1-c1ccc(NCCC2CC3CN(CC4CCCOC4)CC3C2)nn1
InChIInChI=1S/C24H36N6O/c1-17-12-26-29(2)24(17)22-5-6-23(28-27-22)25-8-7-18-10-20-14-30(15-21(20)11-18)13-19-4-3-9-31-16-19/h5-6,12,18-21H,3-4,7-11,13-16H2,1-2H3,(H,25,28)
InChIKeyHRJVMONLCPBNCY-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.37
Rot. Bonds7

About 6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine

6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine (PubChem CID 138578699) has the molecular formula C24H36N6O and a molecular weight of 424.59 g/mol. Its IUPAC name is 6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine
PubChem CID138578699
Molecular FormulaC24H36N6O
Molecular Weight424.59 g/mol
Exact Mass424.30
IUPAC Name6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine
SMILESCc1cnn(C)c1-c1ccc(NCCC2CC3CN(CC4CCCOC4)CC3C2)nn1
InChIInChI=1S/C24H36N6O/c1-17-12-26-29(2)24(17)22-5-6-23(28-27-22)25-8-7-18-10-20-14-30(15-21(20)11-18)13-19-4-3-9-31-16-19/h5-6,12,18-21H,3-4,7-11,13-16H2,1-2H3,(H,25,28)
InChIKeyHRJVMONLCPBNCY-UHFFFAOYSA-N
XLogP3.37
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine 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

(3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142563548
(3aR,6aS)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138578957
N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
CID 142582623
N-[[(3aR)-2-(2,3,3-trimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
CID 156511293
N-[[(3aS,6aR)-2-(2,3,3-trimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
CID 138578262
tert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 150207734
N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 138562182
(3aS,6aR)-N-[6-(2,5-dimethylphenyl)-4-(trifluoromethyl)pyridazin-3-yl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 156899241
(3aR,6aS)-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 142563520
N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
CID 142611631
6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide
CID 122562773
2-N,2-N-dimethyl-6-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazine-2,6-diamine
CID 125447467

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine?
The IUPAC name of 6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine (CID 138578699) is 6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine?
The canonical SMILES for 6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine is Cc1cnn(C)c1-c1ccc(NCCC2CC3CN(CC4CCCOC4)CC3C2)nn1.
What is the InChIKey of 6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine?
The InChIKey is HRJVMONLCPBNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O/c1-17-12-26-29(2)24(17)22-5-6-23(28-27-22)25-8-7-18-10-20-14-30(15-21(20)11-18)13-19-4-3-9-31-16-19/h5-6,12,18-21H,3-4,7-11,13-16H2,1-2H3,(H,25,28).
What are the key properties of 6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine?
6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine has a molecular weight of 424.59 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine is sourced from PubChem (CID 138578699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).