3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine

C11H20N4 — CID 116970755

IUPAC3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine
SMILESCC(CCN)Nc1ccc(C(C)C)nn1
InChIInChI=1S/C11H20N4/c1-8(2)10-4-5-11(15-14-10)13-9(3)6-7-12/h4-5,8-9H,6-7,12H2,1-3H3,(H,13,15)
InChIKeyOAHJXWOJFQGBFM-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.75
Rot. Bonds5

About 3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine

3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine (PubChem CID 116970755) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine
PubChem CID116970755
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine
SMILESCC(CCN)Nc1ccc(C(C)C)nn1
InChIInChI=1S/C11H20N4/c1-8(2)10-4-5-11(15-14-10)13-9(3)6-7-12/h4-5,8-9H,6-7,12H2,1-3H3,(H,13,15)
InChIKeyOAHJXWOJFQGBFM-UHFFFAOYSA-N
XLogP1.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine?
The IUPAC name of 3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine (CID 116970755) is 3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine.
What is the SMILES notation for 3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine?
The canonical SMILES for 3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine is CC(CCN)Nc1ccc(C(C)C)nn1.
What is the InChIKey of 3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine?
The InChIKey is OAHJXWOJFQGBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(2)10-4-5-11(15-14-10)13-9(3)6-7-12/h4-5,8-9H,6-7,12H2,1-3H3,(H,13,15).
What are the key properties of 3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine?
3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine is sourced from PubChem (CID 116970755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).