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

C11H14N4S — CID 116970558

IUPAC1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine
SMILESCC(N)CNc1ccc(-c2cccs2)nn1
InChIInChI=1S/C11H14N4S/c1-8(12)7-13-11-5-4-9(14-15-11)10-3-2-6-16-10/h2-6,8H,7,12H2,1H3,(H,13,15)
InChIKeyZJIVPIGKZIRHOA-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.96
Rot. Bonds4

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

1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine (PubChem CID 116970558) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine
PubChem CID116970558
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine
SMILESCC(N)CNc1ccc(-c2cccs2)nn1
InChIInChI=1S/C11H14N4S/c1-8(12)7-13-11-5-4-9(14-15-11)10-3-2-6-16-10/h2-6,8H,7,12H2,1H3,(H,13,15)
InChIKeyZJIVPIGKZIRHOA-UHFFFAOYSA-N
XLogP1.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(6-thiophen-2-ylpyridazin-3-yl)butane-1,3-diamine
CID 116970824
2-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine
CID 116970506
2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid
CID 82083329
1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine
CID 116970579
2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid
CID 82087110
3-chloro-6-thiophen-2-ylpyridazine
CID 6404701
2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine
CID 116970808
2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965205
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine
CID 116973440
1-N-[6-(2-methylphenyl)pyridazin-3-yl]butane-1,3-diamine
CID 116970835
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine (CID 116970558) is 1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine is CC(N)CNc1ccc(-c2cccs2)nn1.
What is the InChIKey of 1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine?
The InChIKey is ZJIVPIGKZIRHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-8(12)7-13-11-5-4-9(14-15-11)10-3-2-6-16-10/h2-6,8H,7,12H2,1H3,(H,13,15).
What are the key properties of 1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine?
1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine has a molecular weight of 234.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine is sourced from PubChem (CID 116970558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).