3-heptan-4-yl-2,5-dimethyl-3H-pyridazine

C13H24N2 — CID 174303058

IUPAC3-heptan-4-yl-2,5-dimethyl-3H-pyridazine
SMILESCCCC(CCC)C1C=C(C)C=NN1C
InChIInChI=1S/C13H24N2/c1-5-7-12(8-6-2)13-9-11(3)10-14-15(13)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyIQRNNEKTYXQNEC-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.45
Rot. Bonds5

About 3-heptan-4-yl-2,5-dimethyl-3H-pyridazine

3-heptan-4-yl-2,5-dimethyl-3H-pyridazine (PubChem CID 174303058) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-heptan-4-yl-2,5-dimethyl-3H-pyridazine.

Molecular Properties

Compound Name3-heptan-4-yl-2,5-dimethyl-3H-pyridazine
PubChem CID174303058
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-heptan-4-yl-2,5-dimethyl-3H-pyridazine
SMILESCCCC(CCC)C1C=C(C)C=NN1C
InChIInChI=1S/C13H24N2/c1-5-7-12(8-6-2)13-9-11(3)10-14-15(13)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyIQRNNEKTYXQNEC-UHFFFAOYSA-N
XLogP3.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-heptan-4-yl-2,5-dimethyl-3H-pyridazine?
The IUPAC name of 3-heptan-4-yl-2,5-dimethyl-3H-pyridazine (CID 174303058) is 3-heptan-4-yl-2,5-dimethyl-3H-pyridazine.
What is the SMILES notation for 3-heptan-4-yl-2,5-dimethyl-3H-pyridazine?
The canonical SMILES for 3-heptan-4-yl-2,5-dimethyl-3H-pyridazine is CCCC(CCC)C1C=C(C)C=NN1C.
What is the InChIKey of 3-heptan-4-yl-2,5-dimethyl-3H-pyridazine?
The InChIKey is IQRNNEKTYXQNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-7-12(8-6-2)13-9-11(3)10-14-15(13)4/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 3-heptan-4-yl-2,5-dimethyl-3H-pyridazine?
3-heptan-4-yl-2,5-dimethyl-3H-pyridazine has a molecular weight of 208.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-4-yl-2,5-dimethyl-3H-pyridazine is sourced from PubChem (CID 174303058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).