3,5-bis(3-methylbutyl)pyridazine;3,4-bis(2-methylpropyl)pyridazine;3,5-bis(2-methylpropyl)pyridazine

C38H64N6 — CID 160691116

IUPAC3,5-bis(3-methylbutyl)pyridazine;3,4-bis(2-methylpropyl)pyridazine;3,5-bis(2-methylpropyl)pyridazine
SMILESCC(C)CCc1cnnc(CCC(C)C)c1.CC(C)Cc1ccnnc1CC(C)C.CC(C)Cc1cnnc(CC(C)C)c1
InChIInChI=1S/C14H24N2.2C12H20N2/c1-11(2)5-7-13-9-14(16-15-10-13)8-6-12(3)4;1-9(2)5-11-7-12(6-10(3)4)14-13-8-11;1-9(2)7-11-5-6-13-14-12(11)8-10(3)4/h9-12H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3;5-6,9-10H,7-8H2,1-4H3
InChIKeyRPKKPOGMOWUMLP-UHFFFAOYSA-N
MW604.97 g/mol
LogP9.40
Rot. Bonds14

About 3,5-bis(3-methylbutyl)pyridazine;3,4-bis(2-methylpropyl)pyridazine;3,5-bis(2-methylpropyl)pyridazine

3,5-bis(3-methylbutyl)pyridazine;3,4-bis(2-methylpropyl)pyridazine;3,5-bis(2-methylpropyl)pyridazine (PubChem CID 160691116) has the molecular formula C38H64N6 and a molecular weight of 604.97 g/mol. Its IUPAC name is 3,5-bis(3-methylbutyl)pyridazine;3,4-bis(2-methylpropyl)pyridazine;3,5-bis(2-methylpropyl)pyridazine.

Molecular Properties

Compound Name3,5-bis(3-methylbutyl)pyridazine;3,4-bis(2-methylpropyl)pyridazine;3,5-bis(2-methylpropyl)pyridazine
PubChem CID160691116
Molecular FormulaC38H64N6
Molecular Weight604.97 g/mol
Exact Mass604.52
IUPAC Name3,5-bis(3-methylbutyl)pyridazine;3,4-bis(2-methylpropyl)pyridazine;3,5-bis(2-methylpropyl)pyridazine
SMILESCC(C)CCc1cnnc(CCC(C)C)c1.CC(C)Cc1ccnnc1CC(C)C.CC(C)Cc1cnnc(CC(C)C)c1
InChIInChI=1S/C14H24N2.2C12H20N2/c1-11(2)5-7-13-9-14(16-15-10-13)8-6-12(3)4;1-9(2)5-11-7-12(6-10(3)4)14-13-8-11;1-9(2)7-11-5-6-13-14-12(11)8-10(3)4/h9-12H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3;5-6,9-10H,7-8H2,1-4H3
InChIKeyRPKKPOGMOWUMLP-UHFFFAOYSA-N
XLogP9.40
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.97
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-methylbutyl)pyridazine;3,4-bis(2-methylpropyl)pyridazine;3,5-bis(2-methylpropyl)pyridazine?
The IUPAC name of 3,5-bis(3-methylbutyl)pyridazine;3,4-bis(2-methylpropyl)pyridazine;3,5-bis(2-methylpropyl)pyridazine (CID 160691116) is 3,5-bis(3-methylbutyl)pyridazine;3,4-bis(2-methylpropyl)pyridazine;3,5-bis(2-methylpropyl)pyridazine.
What is the SMILES notation for 3,5-bis(3-methylbutyl)pyridazine;3,4-bis(2-methylpropyl)pyridazine;3,5-bis(2-methylpropyl)pyridazine?
The canonical SMILES for 3,5-bis(3-methylbutyl)pyridazine;3,4-bis(2-methylpropyl)pyridazine;3,5-bis(2-methylpropyl)pyridazine is CC(C)CCc1cnnc(CCC(C)C)c1.CC(C)Cc1ccnnc1CC(C)C.CC(C)Cc1cnnc(CC(C)C)c1.
What is the InChIKey of 3,5-bis(3-methylbutyl)pyridazine;3,4-bis(2-methylpropyl)pyridazine;3,5-bis(2-methylpropyl)pyridazine?
The InChIKey is RPKKPOGMOWUMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.2C12H20N2/c1-11(2)5-7-13-9-14(16-15-10-13)8-6-12(3)4;1-9(2)5-11-7-12(6-10(3)4)14-13-8-11;1-9(2)7-11-5-6-13-14-12(11)8-10(3)4/h9-12H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3;5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 3,5-bis(3-methylbutyl)pyridazine;3,4-bis(2-methylpropyl)pyridazine;3,5-bis(2-methylpropyl)pyridazine?
3,5-bis(3-methylbutyl)pyridazine;3,4-bis(2-methylpropyl)pyridazine;3,5-bis(2-methylpropyl)pyridazine has a molecular weight of 604.97 g/mol, XLogP of 9.40, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-methylbutyl)pyridazine;3,4-bis(2-methylpropyl)pyridazine;3,5-bis(2-methylpropyl)pyridazine is sourced from PubChem (CID 160691116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).