N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide

C12H16BrN3O — CID 106367322

IUPACN-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide
SMILESO=C(NC1CCCCC1CBr)c1ccnnc1
InChIInChI=1S/C12H16BrN3O/c13-7-9-3-1-2-4-11(9)16-12(17)10-5-6-14-15-8-10/h5-6,8-9,11H,1-4,7H2,(H,16,17)
InChIKeyWNKFZQUZNTXVBT-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.16
Rot. Bonds3

About N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide

N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide (PubChem CID 106367322) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide
PubChem CID106367322
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide
SMILESO=C(NC1CCCCC1CBr)c1ccnnc1
InChIInChI=1S/C12H16BrN3O/c13-7-9-3-1-2-4-11(9)16-12(17)10-5-6-14-15-8-10/h5-6,8-9,11H,1-4,7H2,(H,16,17)
InChIKeyWNKFZQUZNTXVBT-UHFFFAOYSA-N
XLogP2.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide
CID 106367080
N-[(1R,2R)-2-hydroxycyclohexyl]pyridazine-4-carboxamide
CID 104927784
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide
CID 106367062
N-cyclohexylpyridazine-4-carboxamide
CID 112701044
N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide
CID 106367295
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084
N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide
CID 106366425
5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide
CID 106367206
N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179456
N-[2-(bromomethyl)cyclohexyl]-4-chloro-3-methylbenzamide
CID 114179693

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide (CID 106367322) is N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide is O=C(NC1CCCCC1CBr)c1ccnnc1.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide?
The InChIKey is WNKFZQUZNTXVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-7-9-3-1-2-4-11(9)16-12(17)10-5-6-14-15-8-10/h5-6,8-9,11H,1-4,7H2,(H,16,17).
What are the key properties of N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide?
N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide is sourced from PubChem (CID 106367322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).