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

C13H20N4O2 — CID 166487606

IUPACtrans-(1R,2R)-2-[(1-amino-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl)amino]cyclohexan-1-ol
SMILESNc1nnc(N[C@@H]2CCCC[C@H]2O)c2c1CCOC2
InChIInChI=1S/C13H20N4O2/c14-12-8-5-6-19-7-9(8)13(17-16-12)15-10-3-1-2-4-11(10)18/h10-11,18H,1-7H2,(H2,14,16)(H,15,17)/t10-,11-/m1/s1
InChIKeyZHBDLSRVYVHTET-GHMZBOCLSA-N
MW264.33 g/mol
LogP0.85
Rot. Bonds2

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

trans-(1R,2R)-2-[(1-amino-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl)amino]cyclohexan-1-ol (PubChem CID 166487606) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(1-amino-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(1-amino-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl)amino]cyclohexan-1-ol
PubChem CID166487606
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nametrans-(1R,2R)-2-[(1-amino-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl)amino]cyclohexan-1-ol
SMILESNc1nnc(N[C@@H]2CCCC[C@H]2O)c2c1CCOC2
InChIInChI=1S/C13H20N4O2/c14-12-8-5-6-19-7-9(8)13(17-16-12)15-10-3-1-2-4-11(10)18/h10-11,18H,1-7H2,(H2,14,16)(H,15,17)/t10-,11-/m1/s1
InChIKeyZHBDLSRVYVHTET-GHMZBOCLSA-N
XLogP0.85
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(1-amino-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(1-amino-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl)amino]cyclohexan-1-ol (CID 166487606) is trans-(1R,2R)-2-[(1-amino-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(1-amino-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(1-amino-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl)amino]cyclohexan-1-ol is Nc1nnc(N[C@@H]2CCCC[C@H]2O)c2c1CCOC2.
What is the InChIKey of trans-(1R,2R)-2-[(1-amino-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is ZHBDLSRVYVHTET-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-12-8-5-6-19-7-9(8)13(17-16-12)15-10-3-1-2-4-11(10)18/h10-11,18H,1-7H2,(H2,14,16)(H,15,17)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(1-amino-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl)amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(1-amino-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 264.33 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(1-amino-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 166487606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).