5-chloro-N-pyridazin-3-ylpentanamide

C9H12ClN3O — CID 116786504

IUPAC5-chloro-N-pyridazin-3-ylpentanamide
SMILESO=C(CCCCCl)Nc1cccnn1
InChIInChI=1S/C9H12ClN3O/c10-6-2-1-5-9(14)12-8-4-3-7-11-13-8/h3-4,7H,1-2,5-6H2,(H,12,13,14)
InChIKeyYWJKCIYGRHHROZ-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.82
Rot. Bonds5

About 5-chloro-N-pyridazin-3-ylpentanamide

5-chloro-N-pyridazin-3-ylpentanamide (PubChem CID 116786504) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 5-chloro-N-pyridazin-3-ylpentanamide.

Molecular Properties

Compound Name5-chloro-N-pyridazin-3-ylpentanamide
PubChem CID116786504
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name5-chloro-N-pyridazin-3-ylpentanamide
SMILESO=C(CCCCCl)Nc1cccnn1
InChIInChI=1S/C9H12ClN3O/c10-6-2-1-5-9(14)12-8-4-3-7-11-13-8/h3-4,7H,1-2,5-6H2,(H,12,13,14)
InChIKeyYWJKCIYGRHHROZ-UHFFFAOYSA-N
XLogP1.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pyridazin-3-ylurea
CID 13080987
3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide
CID 116786009
N-pyridazin-3-ylprop-2-enamide
CID 116786507
5-chloro-N-quinolin-6-ylpentanamide
CID 55097309
3-amino-N-pyridazin-3-ylbutanamide
CID 126973262
5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 60933639
2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid
CID 116786342
2-(7-chloroheptanoylamino)benzamide
CID 139930503
4-chloro-N-(2-methyl-3-pyridinyl)butanamide
CID 79042686
(E)-3-[6-(pyridazin-3-ylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 116787726
2-methyl-N-pyridazin-3-ylpropanamide
CID 126995895
4-chloro-N-pyridazin-3-ylpyridine-2-carboxamide
CID 115635761

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-pyridazin-3-ylpentanamide?
The IUPAC name of 5-chloro-N-pyridazin-3-ylpentanamide (CID 116786504) is 5-chloro-N-pyridazin-3-ylpentanamide.
What is the SMILES notation for 5-chloro-N-pyridazin-3-ylpentanamide?
The canonical SMILES for 5-chloro-N-pyridazin-3-ylpentanamide is O=C(CCCCCl)Nc1cccnn1.
What is the InChIKey of 5-chloro-N-pyridazin-3-ylpentanamide?
The InChIKey is YWJKCIYGRHHROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-6-2-1-5-9(14)12-8-4-3-7-11-13-8/h3-4,7H,1-2,5-6H2,(H,12,13,14).
What are the key properties of 5-chloro-N-pyridazin-3-ylpentanamide?
5-chloro-N-pyridazin-3-ylpentanamide has a molecular weight of 213.67 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-pyridazin-3-ylpentanamide is sourced from PubChem (CID 116786504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).