2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine

C9H16N4 — CID 83828270

IUPAC2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine
SMILESCCc1ccc(NC(C)CN)nn1
InChIInChI=1S/C9H16N4/c1-3-8-4-5-9(13-12-8)11-7(2)6-10/h4-5,7H,3,6,10H2,1-2H3,(H,11,13)
InChIKeyIVHOMJNEQXNULZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.80
Rot. Bonds4

About 2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine

2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine (PubChem CID 83828270) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine
PubChem CID83828270
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine
SMILESCCc1ccc(NC(C)CN)nn1
InChIInChI=1S/C9H16N4/c1-3-8-4-5-9(13-12-8)11-7(2)6-10/h4-5,7H,3,6,10H2,1-2H3,(H,11,13)
InChIKeyIVHOMJNEQXNULZ-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine (CID 83828270) is 2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine is CCc1ccc(NC(C)CN)nn1.
What is the InChIKey of 2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine?
The InChIKey is IVHOMJNEQXNULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-8-4-5-9(13-12-8)11-7(2)6-10/h4-5,7H,3,6,10H2,1-2H3,(H,11,13).
What are the key properties of 2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine?
2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-ethylpyridazin-3-yl)propane-1,2-diamine is sourced from PubChem (CID 83828270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).