N-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

C18H27ClN4O — CID 167431537

IUPACN-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCC1(C)CC(N2CC3CC(Nc4ccc(Cl)nn4)CC3C2)CCO1
InChIInChI=1S/C18H27ClN4O/c1-18(2)9-15(5-6-24-18)23-10-12-7-14(8-13(12)11-23)20-17-4-3-16(19)21-22-17/h3-4,12-15H,5-11H2,1-2H3,(H,20,22)
InChIKeyHRCKYNFGZZSDCM-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.21
Rot. Bonds3

About N-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

N-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 167431537) has the molecular formula C18H27ClN4O and a molecular weight of 350.89 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
PubChem CID167431537
Molecular FormulaC18H27ClN4O
Molecular Weight350.89 g/mol
Exact Mass350.19
IUPAC NameN-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCC1(C)CC(N2CC3CC(Nc4ccc(Cl)nn4)CC3C2)CCO1
InChIInChI=1S/C18H27ClN4O/c1-18(2)9-15(5-6-24-18)23-10-12-7-14(8-13(12)11-23)20-17-4-3-16(19)21-22-17/h3-4,12-15H,5-11H2,1-2H3,(H,20,22)
InChIKeyHRCKYNFGZZSDCM-UHFFFAOYSA-N
XLogP3.21
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine with MolForge

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Related Compounds

(3aS)-N-[6-(2,5-difluorophenyl)pyridazin-3-yl]-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 166806784
(3aS,6aR)-N-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 166793738
3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol
CID 155284735
6-chloro-N-(oxan-4-yl)pyridazin-3-amine
CID 43610418
[(3aS,6aR)-5-[(6-chloropyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2S)-1,4-dioxan-2-yl]methanone
CID 171760063
6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide
CID 83033818
6-chloro-N-(oxepan-4-yl)pyridazin-3-amine
CID 130698743
6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768215
2-[dideuterio-[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[6-[2-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 169222023
(3aR,6aS)-2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 171600835
6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 175538332
N-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 168795105

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of N-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 167431537) is N-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is CC1(C)CC(N2CC3CC(Nc4ccc(Cl)nn4)CC3C2)CCO1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is HRCKYNFGZZSDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O/c1-18(2)9-15(5-6-24-18)23-10-12-7-14(8-13(12)11-23)20-17-4-3-16(19)21-22-17/h3-4,12-15H,5-11H2,1-2H3,(H,20,22).
What are the key properties of N-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
N-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 350.89 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 167431537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).