3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile

C18H20N6O2 — CID 126936147

IUPAC3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NC1CCC(n2nc3c(cc2=O)COCC3)CC1
InChIInChI=1S/C18H20N6O2/c19-10-12-5-7-20-22-18(12)21-14-1-3-15(4-2-14)24-17(25)9-13-11-26-8-6-16(13)23-24/h5,7,9,14-15H,1-4,6,8,11H2,(H,21,22)
InChIKeyAXAIBWQWRRBCRE-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.57
Rot. Bonds3

About 3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile

3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile (PubChem CID 126936147) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile
PubChem CID126936147
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NC1CCC(n2nc3c(cc2=O)COCC3)CC1
InChIInChI=1S/C18H20N6O2/c19-10-12-5-7-20-22-18(12)21-14-1-3-15(4-2-14)24-17(25)9-13-11-26-8-6-16(13)23-24/h5,7,9,14-15H,1-4,6,8,11H2,(H,21,22)
InChIKeyAXAIBWQWRRBCRE-UHFFFAOYSA-N
XLogP1.57
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile (CID 126936147) is 3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile is N#Cc1ccnnc1NC1CCC(n2nc3c(cc2=O)COCC3)CC1.
What is the InChIKey of 3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile?
The InChIKey is AXAIBWQWRRBCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c19-10-12-5-7-20-22-18(12)21-14-1-3-15(4-2-14)24-17(25)9-13-11-26-8-6-16(13)23-24/h5,7,9,14-15H,1-4,6,8,11H2,(H,21,22).
What are the key properties of 3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile?
3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile has a molecular weight of 352.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 126936147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).