6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide

C11H11ClN4O — CID 114036737

IUPAC6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide
SMILESN#CC1(NC(=O)c2ccc(Cl)nn2)CCCC1
InChIInChI=1S/C11H11ClN4O/c12-9-4-3-8(15-16-9)10(17)14-11(7-13)5-1-2-6-11/h3-4H,1-2,5-6H2,(H,14,17)
InChIKeyLVDMREYKYJENQU-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.70
Rot. Bonds2

About 6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide

6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide (PubChem CID 114036737) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide
PubChem CID114036737
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide
SMILESN#CC1(NC(=O)c2ccc(Cl)nn2)CCCC1
InChIInChI=1S/C11H11ClN4O/c12-9-4-3-8(15-16-9)10(17)14-11(7-13)5-1-2-6-11/h3-4H,1-2,5-6H2,(H,14,17)
InChIKeyLVDMREYKYJENQU-UHFFFAOYSA-N
XLogP1.70
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide
CID 107248634
6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
CID 60967531
4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide
CID 78831230
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide
CID 60727656
N-(1-cyanocyclopropyl)pyridine-2-carboxamide
CID 160579083
2-chloro-N-(1-cyanocyclobutyl)furan-3-carboxamide
CID 106685763
5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide
CID 55021425
5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide
CID 55024708
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocyclohexyl)pyridazine-4-carboxamide
CID 112705399

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide (CID 114036737) is 6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide is N#CC1(NC(=O)c2ccc(Cl)nn2)CCCC1.
What is the InChIKey of 6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide?
The InChIKey is LVDMREYKYJENQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-9-4-3-8(15-16-9)10(17)14-11(7-13)5-1-2-6-11/h3-4H,1-2,5-6H2,(H,14,17).
What are the key properties of 6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide?
6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide is sourced from PubChem (CID 114036737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).