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

C8H10ClN3O — CID 104672603

IUPACN-(1-chloropropan-2-yl)pyridazine-4-carboxamide
SMILESCC(CCl)NC(=O)c1ccnnc1
InChIInChI=1S/C8H10ClN3O/c1-6(4-9)12-8(13)7-2-3-10-11-5-7/h2-3,5-6H,4H2,1H3,(H,12,13)
InChIKeyMVEHHJXEQHYBGU-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.83
Rot. Bonds3

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

N-(1-chloropropan-2-yl)pyridazine-4-carboxamide (PubChem CID 104672603) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)pyridazine-4-carboxamide
PubChem CID104672603
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC NameN-(1-chloropropan-2-yl)pyridazine-4-carboxamide
SMILESCC(CCl)NC(=O)c1ccnnc1
InChIInChI=1S/C8H10ClN3O/c1-6(4-9)12-8(13)7-2-3-10-11-5-7/h2-3,5-6H,4H2,1H3,(H,12,13)
InChIKeyMVEHHJXEQHYBGU-UHFFFAOYSA-N
XLogP0.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.83
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-(4-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104668958
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide
CID 106354809
N-(1-chloropropan-2-yl)pyrimidine-5-carboxamide
CID 102922755
N-(1-chloropropan-2-yl)benzamide
CID 3683093
N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 114299684
N-(1-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104671529
N-(1-bromobutan-2-yl)pyridazine-4-carboxamide
CID 104672670
N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide
CID 112705396
N-(4-chlorobutan-2-yl)pyridine-4-carboxamide
CID 83178432
N-(2-hydroxy-3-methylbutyl)pyridazine-4-carboxamide
CID 115769407
N-(1-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 91510473

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)pyridazine-4-carboxamide?
The IUPAC name of N-(1-chloropropan-2-yl)pyridazine-4-carboxamide (CID 104672603) is N-(1-chloropropan-2-yl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)pyridazine-4-carboxamide?
The canonical SMILES for N-(1-chloropropan-2-yl)pyridazine-4-carboxamide is CC(CCl)NC(=O)c1ccnnc1.
What is the InChIKey of N-(1-chloropropan-2-yl)pyridazine-4-carboxamide?
The InChIKey is MVEHHJXEQHYBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-6(4-9)12-8(13)7-2-3-10-11-5-7/h2-3,5-6H,4H2,1H3,(H,12,13).
What are the key properties of N-(1-chloropropan-2-yl)pyridazine-4-carboxamide?
N-(1-chloropropan-2-yl)pyridazine-4-carboxamide has a molecular weight of 199.64 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 104672603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).