6-aminopyridazine-4-carbonitrile

C5H4N4 — CID 84647768

IUPAC6-aminopyridazine-4-carbonitrile
SMILESN#Cc1cnnc(N)c1
InChIInChI=1S/C5H4N4/c6-2-4-1-5(7)9-8-3-4/h1,3H,(H2,7,9)
InChIKeyZGKQHWKMPGROIV-UHFFFAOYSA-N
MW120.11 g/mol
LogP-0.07
Rot. Bonds

About 6-aminopyridazine-4-carbonitrile

6-aminopyridazine-4-carbonitrile (PubChem CID 84647768) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is 6-aminopyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-aminopyridazine-4-carbonitrile
PubChem CID84647768
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Name6-aminopyridazine-4-carbonitrile
SMILESN#Cc1cnnc(N)c1
InChIInChI=1S/C5H4N4/c6-2-4-1-5(7)9-8-3-4/h1,3H,(H2,7,9)
InChIKeyZGKQHWKMPGROIV-UHFFFAOYSA-N
XLogP-0.07
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Aminopyridazine
CID 230373
3-Amino-4-methyl-pyridazine
CID 13735310
3-Hydrazinopyridazine
CID 12295391
3-(Methylamino)pyridazine-4-carbonitrile
CID 46848635
5-Methylpyridazin-3-amine
CID 14743344
Pyridazin-3-amine--hydrogen chloride (1/1)
CID 16427157
4-(Trifluoromethyl)pyridazin-3-amine
CID 59636503
5-(Trifluoromethyl)pyridazin-3-amine
CID 67123099
3-Aminopyridazine-4-carbonitrile
CID 14042755
3-Hydrazinyl-4-methylpyridazine
CID 55279498
N-fluoropyridazin-3-amine
CID 20358757
N-[5-(trifluoromethyl)pyridazin-3-yl]thiohydroxylamine
CID 170039609

Frequently Asked Questions

What is the IUPAC name of 6-aminopyridazine-4-carbonitrile?
The IUPAC name of 6-aminopyridazine-4-carbonitrile (CID 84647768) is 6-aminopyridazine-4-carbonitrile.
What is the SMILES notation for 6-aminopyridazine-4-carbonitrile?
The canonical SMILES for 6-aminopyridazine-4-carbonitrile is N#Cc1cnnc(N)c1.
What is the InChIKey of 6-aminopyridazine-4-carbonitrile?
The InChIKey is ZGKQHWKMPGROIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c6-2-4-1-5(7)9-8-3-4/h1,3H,(H2,7,9).
What are the key properties of 6-aminopyridazine-4-carbonitrile?
6-aminopyridazine-4-carbonitrile has a molecular weight of 120.11 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminopyridazine-4-carbonitrile is sourced from PubChem (CID 84647768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).