N-(1-bromobutan-2-yl)pyridazine-4-carboxamide

C9H12BrN3O — CID 104672670

IUPACN-(1-bromobutan-2-yl)pyridazine-4-carboxamide
SMILESCCC(CBr)NC(=O)c1ccnnc1
InChIInChI=1S/C9H12BrN3O/c1-2-8(5-10)13-9(14)7-3-4-11-12-6-7/h3-4,6,8H,2,5H2,1H3,(H,13,14)
InChIKeyYGPZXNRXEOEEPJ-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.38
Rot. Bonds4

About N-(1-bromobutan-2-yl)pyridazine-4-carboxamide

N-(1-bromobutan-2-yl)pyridazine-4-carboxamide (PubChem CID 104672670) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)pyridazine-4-carboxamide
PubChem CID104672670
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC NameN-(1-bromobutan-2-yl)pyridazine-4-carboxamide
SMILESCCC(CBr)NC(=O)c1ccnnc1
InChIInChI=1S/C9H12BrN3O/c1-2-8(5-10)13-9(14)7-3-4-11-12-6-7/h3-4,6,8H,2,5H2,1H3,(H,13,14)
InChIKeyYGPZXNRXEOEEPJ-UHFFFAOYSA-N
XLogP1.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.38
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-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104671529
N-hex-5-yn-3-ylpyridazine-4-carboxamide
CID 115769387
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
N-(1-bromobutan-2-yl)-4-hydroxybenzamide
CID 114307598
N-(1-chloropropan-2-yl)pyridazine-4-carboxamide
CID 104672603
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-(4-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104668958
N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide
CID 114307803
N-(1-bromobutan-2-yl)pyridine-2-carboxamide
CID 114307782
N-(1-bromobutan-2-yl)-4-ethoxybenzamide
CID 114307651
N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114307626
N-(1-bromobutan-2-yl)-3,4,5-trifluorobenzamide
CID 114307677

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)pyridazine-4-carboxamide?
The IUPAC name of N-(1-bromobutan-2-yl)pyridazine-4-carboxamide (CID 104672670) is N-(1-bromobutan-2-yl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)pyridazine-4-carboxamide?
The canonical SMILES for N-(1-bromobutan-2-yl)pyridazine-4-carboxamide is CCC(CBr)NC(=O)c1ccnnc1.
What is the InChIKey of N-(1-bromobutan-2-yl)pyridazine-4-carboxamide?
The InChIKey is YGPZXNRXEOEEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-2-8(5-10)13-9(14)7-3-4-11-12-6-7/h3-4,6,8H,2,5H2,1H3,(H,13,14).
What are the key properties of N-(1-bromobutan-2-yl)pyridazine-4-carboxamide?
N-(1-bromobutan-2-yl)pyridazine-4-carboxamide has a molecular weight of 258.12 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 104672670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).