N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide

C11H14BrN3O — CID 104672706

IUPACN-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide
SMILESO=C(NC1(CBr)CCCC1)c1ccnnc1
InChIInChI=1S/C11H14BrN3O/c12-8-11(4-1-2-5-11)15-10(16)9-3-6-13-14-7-9/h3,6-7H,1-2,4-5,8H2,(H,15,16)
InChIKeyVVPPOTDCYKOIHC-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.91
Rot. Bonds3

About N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide

N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide (PubChem CID 104672706) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide
PubChem CID104672706
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC NameN-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide
SMILESO=C(NC1(CBr)CCCC1)c1ccnnc1
InChIInChI=1S/C11H14BrN3O/c12-8-11(4-1-2-5-11)15-10(16)9-3-6-13-14-7-9/h3,6-7H,1-2,4-5,8H2,(H,15,16)
InChIKeyVVPPOTDCYKOIHC-UHFFFAOYSA-N
XLogP1.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.91
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-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide
CID 114311461
N-[[1-(bromomethyl)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 113439559
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
CID 114311351
N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 114314181
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide
CID 104671949
N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 114314078
N-(1-cyanocyclohexyl)pyridazine-4-carboxamide
CID 112705399
pyridazine-4-carbohydrazide;hydrochloride
CID 122236542
N-[1-(bromomethyl)cyclohexyl]-4-nitrobenzamide
CID 114314124
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 104672791

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide (CID 104672706) is N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide is O=C(NC1(CBr)CCCC1)c1ccnnc1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide?
The InChIKey is VVPPOTDCYKOIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c12-8-11(4-1-2-5-11)15-10(16)9-3-6-13-14-7-9/h3,6-7H,1-2,4-5,8H2,(H,15,16).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide?
N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide has a molecular weight of 284.16 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide is sourced from PubChem (CID 104672706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).