trans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol

C13H18ClN3O2 — CID 166487665

IUPACtrans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1nnc(Cl)c2c1CCOC2
InChIInChI=1S/C13H18ClN3O2/c14-12-9-7-19-6-5-8(9)13(17-16-12)15-10-3-1-2-4-11(10)18/h10-11,18H,1-7H2,(H,15,17)/t10-,11-/m1/s1
InChIKeyRDGJCMMBLRPGSI-GHMZBOCLSA-N
MW283.76 g/mol
LogP1.92
Rot. Bonds2

About trans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol

trans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol (PubChem CID 166487665) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol
PubChem CID166487665
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Nametrans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1nnc(Cl)c2c1CCOC2
InChIInChI=1S/C13H18ClN3O2/c14-12-9-7-19-6-5-8(9)13(17-16-12)15-10-3-1-2-4-11(10)18/h10-11,18H,1-7H2,(H,15,17)/t10-,11-/m1/s1
InChIKeyRDGJCMMBLRPGSI-GHMZBOCLSA-N
XLogP1.92
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol (CID 166487665) is trans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1Nc1nnc(Cl)c2c1CCOC2.
What is the InChIKey of trans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol?
The InChIKey is RDGJCMMBLRPGSI-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-12-9-7-19-6-5-8(9)13(17-16-12)15-10-3-1-2-4-11(10)18/h10-11,18H,1-7H2,(H,15,17)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol has a molecular weight of 283.76 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 166487665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).