N-(1-cyanocyclohexyl)pyridazine-4-carboxamide

C12H14N4O — CID 112705399

IUPACN-(1-cyanocyclohexyl)pyridazine-4-carboxamide
SMILESN#CC1(NC(=O)c2ccnnc2)CCCCC1
InChIInChI=1S/C12H14N4O/c13-9-12(5-2-1-3-6-12)16-11(17)10-4-7-14-15-8-10/h4,7-8H,1-3,5-6H2,(H,16,17)
InChIKeyCMOKINVNTJSONH-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.43
Rot. Bonds2

About N-(1-cyanocyclohexyl)pyridazine-4-carboxamide

N-(1-cyanocyclohexyl)pyridazine-4-carboxamide (PubChem CID 112705399) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)pyridazine-4-carboxamide
PubChem CID112705399
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(1-cyanocyclohexyl)pyridazine-4-carboxamide
SMILESN#CC1(NC(=O)c2ccnnc2)CCCCC1
InChIInChI=1S/C12H14N4O/c13-9-12(5-2-1-3-6-12)16-11(17)10-4-7-14-15-8-10/h4,7-8H,1-3,5-6H2,(H,16,17)
InChIKeyCMOKINVNTJSONH-UHFFFAOYSA-N
XLogP1.43
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
CID 60967531
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
CID 104938860
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocycloheptyl)furan-3-carboxamide
CID 54904387
N-(1-cyanocycloheptyl)thiophene-3-carboxamide
CID 54904351
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide
CID 60966830
N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide
CID 104672706
N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide
CID 104671949
N-(1-cyanocycloheptyl)-3-iodobenzamide
CID 54904742
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)pyridazine-4-carboxamide?
The IUPAC name of N-(1-cyanocyclohexyl)pyridazine-4-carboxamide (CID 112705399) is N-(1-cyanocyclohexyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(1-cyanocyclohexyl)pyridazine-4-carboxamide is N#CC1(NC(=O)c2ccnnc2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)pyridazine-4-carboxamide?
The InChIKey is CMOKINVNTJSONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-9-12(5-2-1-3-6-12)16-11(17)10-4-7-14-15-8-10/h4,7-8H,1-3,5-6H2,(H,16,17).
What are the key properties of N-(1-cyanocyclohexyl)pyridazine-4-carboxamide?
N-(1-cyanocyclohexyl)pyridazine-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)pyridazine-4-carboxamide is sourced from PubChem (CID 112705399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).