cis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile

C14H17ClN4O — CID 177071256

IUPACcis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile
SMILESN#C[C@@H]1CCCC[C@H]1Nc1nnc(Cl)c2c1CCOC2
InChIInChI=1S/C14H17ClN4O/c15-13-11-8-20-6-5-10(11)14(19-18-13)17-12-4-2-1-3-9(12)7-16/h9,12H,1-6,8H2,(H,17,19)/t9-,12+/m0/s1
InChIKeyLLWFLOITXVQKBH-JOYOIKCWSA-N
MW292.77 g/mol
LogP2.70
Rot. Bonds2

About cis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile

cis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 177071256) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is cis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile
PubChem CID177071256
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Namecis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile
SMILESN#C[C@@H]1CCCC[C@H]1Nc1nnc(Cl)c2c1CCOC2
InChIInChI=1S/C14H17ClN4O/c15-13-11-8-20-6-5-10(11)14(19-18-13)17-12-4-2-1-3-9(12)7-16/h9,12H,1-6,8H2,(H,17,19)/t9-,12+/m0/s1
InChIKeyLLWFLOITXVQKBH-JOYOIKCWSA-N
XLogP2.70
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of cis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile (CID 177071256) is cis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for cis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for cis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile is N#C[C@@H]1CCCC[C@H]1Nc1nnc(Cl)c2c1CCOC2.
What is the InChIKey of cis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is LLWFLOITXVQKBH-JOYOIKCWSA-N. The full InChI is InChI=1S/C14H17ClN4O/c15-13-11-8-20-6-5-10(11)14(19-18-13)17-12-4-2-1-3-9(12)7-16/h9,12H,1-6,8H2,(H,17,19)/t9-,12+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile?
cis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 292.77 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 177071256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).