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

C12H16ClN3O2 — CID 177071109

IUPACtrans-(1R,2R)-2-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1nnc(Cl)c2c1COC2
InChIInChI=1S/C12H16ClN3O2/c13-11-7-5-18-6-8(7)12(16-15-11)14-9-3-1-2-4-10(9)17/h9-10,17H,1-6H2,(H,14,16)/t9-,10-/m1/s1
InChIKeyPAMSTINDWRCVDS-NXEZZACHSA-N
MW269.73 g/mol
LogP1.88
Rot. Bonds2

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

trans-(1R,2R)-2-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol (PubChem CID 177071109) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol
PubChem CID177071109
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Nametrans-(1R,2R)-2-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1nnc(Cl)c2c1COC2
InChIInChI=1S/C12H16ClN3O2/c13-11-7-5-18-6-8(7)12(16-15-11)14-9-3-1-2-4-10(9)17/h9-10,17H,1-6H2,(H,14,16)/t9-,10-/m1/s1
InChIKeyPAMSTINDWRCVDS-NXEZZACHSA-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 trans-(1R,2R)-2-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol (CID 177071109) is trans-(1R,2R)-2-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1Nc1nnc(Cl)c2c1COC2.
What is the InChIKey of trans-(1R,2R)-2-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol?
The InChIKey is PAMSTINDWRCVDS-NXEZZACHSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-11-7-5-18-6-8(7)12(16-15-11)14-9-3-1-2-4-10(9)17/h9-10,17H,1-6H2,(H,14,16)/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(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 trans-(1R,2R)-2-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 177071109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).