trans-(1R,2R)-2-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine

C13H19ClN4O — CID 166487609

IUPACtrans-(1R,2R)-2-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1Nc1nnc(Cl)c2c1CCOC2
InChIInChI=1S/C13H19ClN4O/c14-12-9-7-19-6-5-8(9)13(18-17-12)16-11-4-2-1-3-10(11)15/h10-11H,1-7,15H2,(H,16,18)/t10-,11-/m1/s1
InChIKeyZZQXSCJJPCXXGZ-GHMZBOCLSA-N
MW282.78 g/mol
LogP1.88
Rot. Bonds2

About trans-(1R,2R)-2-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine

trans-(1R,2R)-2-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine (PubChem CID 166487609) has the molecular formula C13H19ClN4O and a molecular weight of 282.78 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine
PubChem CID166487609
Molecular FormulaC13H19ClN4O
Molecular Weight282.78 g/mol
Exact Mass282.12
IUPAC Nametrans-(1R,2R)-2-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1Nc1nnc(Cl)c2c1CCOC2
InChIInChI=1S/C13H19ClN4O/c14-12-9-7-19-6-5-8(9)13(18-17-12)16-11-4-2-1-3-10(11)15/h10-11H,1-7,15H2,(H,16,18)/t10-,11-/m1/s1
InChIKeyZZQXSCJJPCXXGZ-GHMZBOCLSA-N
XLogP1.88
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-2-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine 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-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine (CID 166487609) is trans-(1R,2R)-2-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine is N[C@@H]1CCCC[C@H]1Nc1nnc(Cl)c2c1CCOC2.
What is the InChIKey of trans-(1R,2R)-2-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine?
The InChIKey is ZZQXSCJJPCXXGZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H19ClN4O/c14-12-9-7-19-6-5-8(9)13(18-17-12)16-11-4-2-1-3-10(11)15/h10-11H,1-7,15H2,(H,16,18)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine has a molecular weight of 282.78 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 trans-(1R,2R)-2-N-(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 166487609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).