1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine

C11H15N5 — CID 116970579

IUPAC1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine
SMILESCC(N)CNc1ccc(-c2ccc[nH]2)nn1
InChIInChI=1S/C11H15N5/c1-8(12)7-14-11-5-4-10(15-16-11)9-3-2-6-13-9/h2-6,8,13H,7,12H2,1H3,(H,14,16)
InChIKeyQERKXSLDAZMCHD-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.23
Rot. Bonds4

About 1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine

1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine (PubChem CID 116970579) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine
PubChem CID116970579
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine
SMILESCC(N)CNc1ccc(-c2ccc[nH]2)nn1
InChIInChI=1S/C11H15N5/c1-8(12)7-14-11-5-4-10(15-16-11)9-3-2-6-13-9/h2-6,8,13H,7,12H2,1H3,(H,14,16)
InChIKeyQERKXSLDAZMCHD-UHFFFAOYSA-N
XLogP1.23
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine?
The IUPAC name of 1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine (CID 116970579) is 1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine?
The canonical SMILES for 1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine is CC(N)CNc1ccc(-c2ccc[nH]2)nn1.
What is the InChIKey of 1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine?
The InChIKey is QERKXSLDAZMCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8(12)7-14-11-5-4-10(15-16-11)9-3-2-6-13-9/h2-6,8,13H,7,12H2,1H3,(H,14,16).
What are the key properties of 1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine?
1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine has a molecular weight of 217.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine is sourced from PubChem (CID 116970579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).