5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine

C15H27N3 — CID 170099297

IUPAC5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine
SMILESCCCC(CCC)CNc1cc(C(C)C)cnn1
InChIInChI=1S/C15H27N3/c1-5-7-13(8-6-2)10-16-15-9-14(12(3)4)11-17-18-15/h9,11-13H,5-8,10H2,1-4H3,(H,16,18)
InChIKeyICVKWLMFGMDQJA-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.23
Rot. Bonds8

About 5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine

5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine (PubChem CID 170099297) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine
PubChem CID170099297
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine
SMILESCCCC(CCC)CNc1cc(C(C)C)cnn1
InChIInChI=1S/C15H27N3/c1-5-7-13(8-6-2)10-16-15-9-14(12(3)4)11-17-18-15/h9,11-13H,5-8,10H2,1-4H3,(H,16,18)
InChIKeyICVKWLMFGMDQJA-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine?
The IUPAC name of 5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine (CID 170099297) is 5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine.
What is the SMILES notation for 5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine?
The canonical SMILES for 5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine is CCCC(CCC)CNc1cc(C(C)C)cnn1.
What is the InChIKey of 5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine?
The InChIKey is ICVKWLMFGMDQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-7-13(8-6-2)10-16-15-9-14(12(3)4)11-17-18-15/h9,11-13H,5-8,10H2,1-4H3,(H,16,18).
What are the key properties of 5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine?
5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine has a molecular weight of 249.40 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(2-propylpentyl)pyridazin-3-amine is sourced from PubChem (CID 170099297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).