4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide

C10H14ClN3O — CID 143276027

IUPAC4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1nnccc1Cl
InChIInChI=1S/C10H14ClN3O/c1-7(2)3-5-12-10(15)9-8(11)4-6-13-14-9/h4,6-7H,3,5H2,1-2H3,(H,12,15)
InChIKeyJGTCBWJCLUIMJG-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.91
Rot. Bonds4

About 4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide

4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide (PubChem CID 143276027) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide
PubChem CID143276027
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1nnccc1Cl
InChIInChI=1S/C10H14ClN3O/c1-7(2)3-5-12-10(15)9-8(11)4-6-13-14-9/h4,6-7H,3,5H2,1-2H3,(H,12,15)
InChIKeyJGTCBWJCLUIMJG-UHFFFAOYSA-N
XLogP1.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
CID 141106877
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide
CID 142077202
3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide
CID 103606420
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)phthalazine-1-carboxamide
CID 42690854
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 27556673
4-chloro-3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65368010
4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217368
3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide
CID 61092538
6-hydrazinyl-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 62237645
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide (CID 143276027) is 4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide is CC(C)CCNC(=O)c1nnccc1Cl.
What is the InChIKey of 4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide?
The InChIKey is JGTCBWJCLUIMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7(2)3-5-12-10(15)9-8(11)4-6-13-14-9/h4,6-7H,3,5H2,1-2H3,(H,12,15).
What are the key properties of 4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide?
4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide is sourced from PubChem (CID 143276027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).