cis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol

C12H16ClN3O2 — CID 166487635

IUPACcis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol
SMILESO[C@H]1CCC[C@@H](Nc2nnc(Cl)c3c2COC3)C1
InChIInChI=1S/C12H16ClN3O2/c13-11-9-5-18-6-10(9)12(16-15-11)14-7-2-1-3-8(17)4-7/h7-8,17H,1-6H2,(H,14,16)/t7-,8+/m1/s1
InChIKeyPKIKIQIVMRUJNE-SFYZADRCSA-N
MW269.73 g/mol
LogP1.88
Rot. Bonds2

About cis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol

cis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol (PubChem CID 166487635) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol
PubChem CID166487635
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Namecis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol
SMILESO[C@H]1CCC[C@@H](Nc2nnc(Cl)c3c2COC3)C1
InChIInChI=1S/C12H16ClN3O2/c13-11-9-5-18-6-10(9)12(16-15-11)14-7-2-1-3-8(17)4-7/h7-8,17H,1-6H2,(H,14,16)/t7-,8+/m1/s1
InChIKeyPKIKIQIVMRUJNE-SFYZADRCSA-N
XLogP1.88
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol with MolForge

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Related Compounds

trans-(1R,2R)-2-[(1-chloro-5,7,8,9-tetrahydrooxepino[3,4-d]pyridazin-4-yl)amino]cyclohexan-1-ol
CID 166487603
trans-(1R,2R)-2-[(4-chloro-5,7,8,9-tetrahydrooxepino[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol
CID 166487647
4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine
CID 167137622
3-[(4-Chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol
CID 167138133
4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride
CID 171837818
trans-(1R,2R)-2-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol
CID 177071109
cis-(1S,3R)-3-[(1-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl)amino]cyclohexan-1-ol
CID 177071125
4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine
CID 171837819

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol?
The IUPAC name of cis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol (CID 166487635) is cis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol is O[C@H]1CCC[C@@H](Nc2nnc(Cl)c3c2COC3)C1.
What is the InChIKey of cis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol?
The InChIKey is PKIKIQIVMRUJNE-SFYZADRCSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-11-9-5-18-6-10(9)12(16-15-11)14-7-2-1-3-8(17)4-7/h7-8,17H,1-6H2,(H,14,16)/t7-,8+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol?
cis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol has a molecular weight of 269.73 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 166487635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).