6-(2-aminopropylamino)pyridazine-4-carbonitrile

C8H11N5 — CID 131000566

IUPAC6-(2-aminopropylamino)pyridazine-4-carbonitrile
SMILESCC(N)CNc1cc(C#N)cnn1
InChIInChI=1S/C8H11N5/c1-6(10)4-11-8-2-7(3-9)5-12-13-8/h2,5-6H,4,10H2,1H3,(H,11,13)
InChIKeyOFQCUZIDHXOVME-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.11
Rot. Bonds3

About 6-(2-aminopropylamino)pyridazine-4-carbonitrile

6-(2-aminopropylamino)pyridazine-4-carbonitrile (PubChem CID 131000566) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-(2-aminopropylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-(2-aminopropylamino)pyridazine-4-carbonitrile
PubChem CID131000566
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name6-(2-aminopropylamino)pyridazine-4-carbonitrile
SMILESCC(N)CNc1cc(C#N)cnn1
InChIInChI=1S/C8H11N5/c1-6(10)4-11-8-2-7(3-9)5-12-13-8/h2,5-6H,4,10H2,1H3,(H,11,13)
InChIKeyOFQCUZIDHXOVME-UHFFFAOYSA-N
XLogP0.11
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile
CID 131076601
4-(2-aminopropylamino)-3,5-difluorobenzonitrile
CID 81293263
4-(2-aminopropylamino)pyrimidine-2-carbonitrile
CID 130587580
4-(2-aminopropylamino)-3-chlorobenzonitrile
CID 63732969
3-(2-aminopropylamino)pyrazine-2-carbonitrile
CID 63731086
3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol
CID 106550190
5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine
CID 58227336
5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 103468967
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile
CID 64541282
6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile
CID 131001598
2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile
CID 131124292

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropylamino)pyridazine-4-carbonitrile?
The IUPAC name of 6-(2-aminopropylamino)pyridazine-4-carbonitrile (CID 131000566) is 6-(2-aminopropylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 6-(2-aminopropylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 6-(2-aminopropylamino)pyridazine-4-carbonitrile is CC(N)CNc1cc(C#N)cnn1.
What is the InChIKey of 6-(2-aminopropylamino)pyridazine-4-carbonitrile?
The InChIKey is OFQCUZIDHXOVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-6(10)4-11-8-2-7(3-9)5-12-13-8/h2,5-6H,4,10H2,1H3,(H,11,13).
What are the key properties of 6-(2-aminopropylamino)pyridazine-4-carbonitrile?
6-(2-aminopropylamino)pyridazine-4-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 131000566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).