3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide

C10H13Cl2N3O — CID 103606420

IUPAC3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C10H13Cl2N3O/c1-6(2)3-4-13-10(16)7-5-8(11)14-15-9(7)12/h5-6H,3-4H2,1-2H3,(H,13,16)
InChIKeyLKQKCAYFAIAVNE-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.56
Rot. Bonds4

About 3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide

3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide (PubChem CID 103606420) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide
PubChem CID103606420
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC Name3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C10H13Cl2N3O/c1-6(2)3-4-13-10(16)7-5-8(11)14-15-9(7)12/h5-6H,3-4H2,1-2H3,(H,13,16)
InChIKeyLKQKCAYFAIAVNE-UHFFFAOYSA-N
XLogP2.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide
CID 43501013
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
2,4-diamino-N-(3-methylbutyl)benzamide
CID 61092536
3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide
CID 114038414
3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide
CID 103606489
2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379713
2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide
CID 142077202
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935
4-chloro-3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65368010
2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 143276027

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide (CID 103606420) is 3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide is CC(C)CCNC(=O)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide?
The InChIKey is LKQKCAYFAIAVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c1-6(2)3-4-13-10(16)7-5-8(11)14-15-9(7)12/h5-6H,3-4H2,1-2H3,(H,13,16).
What are the key properties of 3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide?
3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide has a molecular weight of 262.14 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide is sourced from PubChem (CID 103606420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).