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

C12H17N5 — CID 116973327

IUPAC1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine
SMILESCC(N)CN(C)c1ccc(-c2cc[nH]c2)nn1
InChIInChI=1S/C12H17N5/c1-9(13)8-17(2)12-4-3-11(15-16-12)10-5-6-14-7-10/h3-7,9,14H,8,13H2,1-2H3
InChIKeyDEBLFTUBJYKBJV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.26
Rot. Bonds4

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

1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine (PubChem CID 116973327) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine
PubChem CID116973327
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine
SMILESCC(N)CN(C)c1ccc(-c2cc[nH]c2)nn1
InChIInChI=1S/C12H17N5/c1-9(13)8-17(2)12-4-3-11(15-16-12)10-5-6-14-7-10/h3-7,9,14H,8,13H2,1-2H3
InChIKeyDEBLFTUBJYKBJV-UHFFFAOYSA-N
XLogP1.26
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine (CID 116973327) is 1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine is CC(N)CN(C)c1ccc(-c2cc[nH]c2)nn1.
What is the InChIKey of 1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine?
The InChIKey is DEBLFTUBJYKBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9(13)8-17(2)12-4-3-11(15-16-12)10-5-6-14-7-10/h3-7,9,14H,8,13H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine?
1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine is sourced from PubChem (CID 116973327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).