7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine

C17H24ClN3O2 — CID 167041330

IUPAC7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine
SMILESClc1ccc(C2NNC(NC[C@H]3CCCO3)C3CCOC23)cc1
InChIInChI=1S/C17H24ClN3O2/c18-12-5-3-11(4-6-12)15-16-14(7-9-23-16)17(21-20-15)19-10-13-2-1-8-22-13/h3-6,13-17,19-21H,1-2,7-10H2/t13-,14?,15?,16?,17?/m1/s1
InChIKeyWHEVCZZUMRXIPT-CWJHNBGESA-N
MW337.85 g/mol
LogP1.99
Rot. Bonds4

About 7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine

7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine (PubChem CID 167041330) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine
PubChem CID167041330
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine
SMILESClc1ccc(C2NNC(NC[C@H]3CCCO3)C3CCOC23)cc1
InChIInChI=1S/C17H24ClN3O2/c18-12-5-3-11(4-6-12)15-16-14(7-9-23-16)17(21-20-15)19-10-13-2-1-8-22-13/h3-6,13-17,19-21H,1-2,7-10H2/t13-,14?,15?,16?,17?/m1/s1
InChIKeyWHEVCZZUMRXIPT-CWJHNBGESA-N
XLogP1.99
TPSA54.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine with MolForge

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Related Compounds

4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydropyrido[3,4-d]pyridazin-1-amine
CID 167041315
4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine
CID 167041325
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 54797397
5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 81300825
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea
CID 113216252
(E)-3-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 825443
(6R,7R)-6-(4-chlorophenyl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 26363899
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 40592688
8-(4-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydropyrido[2,3-d]pyridazin-5-amine
CID 164754420
1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea
CID 17182016

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine?
The IUPAC name of 7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine (CID 167041330) is 7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine.
What is the SMILES notation for 7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine?
The canonical SMILES for 7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine is Clc1ccc(C2NNC(NC[C@H]3CCCO3)C3CCOC23)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine?
The InChIKey is WHEVCZZUMRXIPT-CWJHNBGESA-N. The full InChI is InChI=1S/C17H24ClN3O2/c18-12-5-3-11(4-6-12)15-16-14(7-9-23-16)17(21-20-15)19-10-13-2-1-8-22-13/h3-6,13-17,19-21H,1-2,7-10H2/t13-,14?,15?,16?,17?/m1/s1.
What are the key properties of 7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine?
7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine has a molecular weight of 337.85 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine is sourced from PubChem (CID 167041330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).