6-chloro-N-(2-methylpropyl)pyridazine-3-carboxamide

C9H12ClN3O — CID 60858859

IUPAC6-chloro-N-(2-methylpropyl)pyridazine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C9H12ClN3O/c1-6(2)5-11-9(14)7-3-4-8(10)13-12-7/h3-4,6H,5H2,1-2H3,(H,11,14)
InChIKeyYPAMDUNFBYKSRK-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.52
Rot. Bonds3

About 6-chloro-N-(2-methylpropyl)pyridazine-3-carboxamide

6-chloro-N-(2-methylpropyl)pyridazine-3-carboxamide (PubChem CID 60858859) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 6-chloro-N-(2-methylpropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-methylpropyl)pyridazine-3-carboxamide
PubChem CID60858859
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name6-chloro-N-(2-methylpropyl)pyridazine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C9H12ClN3O/c1-6(2)5-11-9(14)7-3-4-8(10)13-12-7/h3-4,6H,5H2,1-2H3,(H,11,14)
InChIKeyYPAMDUNFBYKSRK-UHFFFAOYSA-N
XLogP1.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methylpropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-methylpropyl)pyridazine-3-carboxamide (CID 60858859) is 6-chloro-N-(2-methylpropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-methylpropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-methylpropyl)pyridazine-3-carboxamide is CC(C)CNC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(2-methylpropyl)pyridazine-3-carboxamide?
The InChIKey is YPAMDUNFBYKSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-6(2)5-11-9(14)7-3-4-8(10)13-12-7/h3-4,6H,5H2,1-2H3,(H,11,14).
What are the key properties of 6-chloro-N-(2-methylpropyl)pyridazine-3-carboxamide?
6-chloro-N-(2-methylpropyl)pyridazine-3-carboxamide has a molecular weight of 213.67 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methylpropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 60858859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).