3-N-pentan-3-ylpyridazine-3,6-diamine

C9H16N4 — CID 69290764

IUPAC3-N-pentan-3-ylpyridazine-3,6-diamine
SMILESCCC(CC)Nc1ccc(N)nn1
InChIInChI=1S/C9H16N4/c1-3-7(4-2)11-9-6-5-8(10)12-13-9/h5-7H,3-4H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyVUJMNKOYBFNFCF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.66
Rot. Bonds4

About 3-N-pentan-3-ylpyridazine-3,6-diamine

3-N-pentan-3-ylpyridazine-3,6-diamine (PubChem CID 69290764) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-N-pentan-3-ylpyridazine-3,6-diamine.

Molecular Properties

Compound Name3-N-pentan-3-ylpyridazine-3,6-diamine
PubChem CID69290764
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-N-pentan-3-ylpyridazine-3,6-diamine
SMILESCCC(CC)Nc1ccc(N)nn1
InChIInChI=1S/C9H16N4/c1-3-7(4-2)11-9-6-5-8(10)12-13-9/h5-7H,3-4H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyVUJMNKOYBFNFCF-UHFFFAOYSA-N
XLogP1.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-pentan-3-ylpyridazine-3,6-diamine?
The IUPAC name of 3-N-pentan-3-ylpyridazine-3,6-diamine (CID 69290764) is 3-N-pentan-3-ylpyridazine-3,6-diamine.
What is the SMILES notation for 3-N-pentan-3-ylpyridazine-3,6-diamine?
The canonical SMILES for 3-N-pentan-3-ylpyridazine-3,6-diamine is CCC(CC)Nc1ccc(N)nn1.
What is the InChIKey of 3-N-pentan-3-ylpyridazine-3,6-diamine?
The InChIKey is VUJMNKOYBFNFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-7(4-2)11-9-6-5-8(10)12-13-9/h5-7H,3-4H2,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of 3-N-pentan-3-ylpyridazine-3,6-diamine?
3-N-pentan-3-ylpyridazine-3,6-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-pentan-3-ylpyridazine-3,6-diamine is sourced from PubChem (CID 69290764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).