N-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide

C10H12ClN3O — CID 115673029

IUPACN-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1ccc(Cl)nn1)C1CC1
InChIInChI=1S/C10H12ClN3O/c1-6(7-2-3-7)10(15)12-9-5-4-8(11)13-14-9/h4-7H,2-3H2,1H3,(H,12,14,15)
InChIKeyKROOGHISEQTHDO-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.11
Rot. Bonds3

About N-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide

N-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide (PubChem CID 115673029) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide
PubChem CID115673029
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC NameN-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1ccc(Cl)nn1)C1CC1
InChIInChI=1S/C10H12ClN3O/c1-6(7-2-3-7)10(15)12-9-5-4-8(11)13-14-9/h4-7H,2-3H2,1H3,(H,12,14,15)
InChIKeyKROOGHISEQTHDO-UHFFFAOYSA-N
XLogP2.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide (CID 115673029) is N-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide is CC(C(=O)Nc1ccc(Cl)nn1)C1CC1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide?
The InChIKey is KROOGHISEQTHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-6(7-2-3-7)10(15)12-9-5-4-8(11)13-14-9/h4-7H,2-3H2,1H3,(H,12,14,15).
What are the key properties of N-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide?
N-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide has a molecular weight of 225.68 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide is sourced from PubChem (CID 115673029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).