N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide

C12H15F2N3O — CID 136555200

IUPACN-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide
SMILESO=C(NC1CCC(C(F)F)CC1)c1cccnn1
InChIInChI=1S/C12H15F2N3O/c13-11(14)8-3-5-9(6-4-8)16-12(18)10-2-1-7-15-17-10/h1-2,7-9,11H,3-6H2,(H,16,18)
InChIKeyGFXGPQDJVWSIMU-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.03
Rot. Bonds3

About N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide

N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide (PubChem CID 136555200) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide
PubChem CID136555200
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide
SMILESO=C(NC1CCC(C(F)F)CC1)c1cccnn1
InChIInChI=1S/C12H15F2N3O/c13-11(14)8-3-5-9(6-4-8)16-12(18)10-2-1-7-15-17-10/h1-2,7-9,11H,3-6H2,(H,16,18)
InChIKeyGFXGPQDJVWSIMU-UHFFFAOYSA-N
XLogP2.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxycyclohexyl)pyridazine-3-carboxamide
CID 141460592
N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 110852783
N-(oxetan-2-yl)pyridazine-3-carboxamide
CID 175943968
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-(cyclopropylmethyl)pyridazine-3-carboxamide
CID 158437543
N-(2-cyclopropylethyl)pyridazine-3-carboxamide;hydrochloride
CID 141153348
N-cyclopropyl-6-phenylpyridazine-3-carboxamide
CID 113200511
N-phenylpyridazine-3-carboxamide
CID 23633015
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide
CID 70296559
6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid
CID 122058210
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide
CID 166900588

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide?
The IUPAC name of N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide (CID 136555200) is N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide is O=C(NC1CCC(C(F)F)CC1)c1cccnn1.
What is the InChIKey of N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide?
The InChIKey is GFXGPQDJVWSIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c13-11(14)8-3-5-9(6-4-8)16-12(18)10-2-1-7-15-17-10/h1-2,7-9,11H,3-6H2,(H,16,18).
What are the key properties of N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide?
N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide is sourced from PubChem (CID 136555200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).