5-aminopyridazine-4-carbonitrile

C5H4N4 — CID 84647767

IUPAC5-aminopyridazine-4-carbonitrile
SMILESN#Cc1cnncc1N
InChIInChI=1S/C5H4N4/c6-1-4-2-8-9-3-5(4)7/h2-3H,(H2,7,8)
InChIKeyWYLIQDJQLIYWHP-UHFFFAOYSA-N
MW120.11 g/mol
LogP-0.07
Rot. Bonds

About 5-aminopyridazine-4-carbonitrile

5-aminopyridazine-4-carbonitrile (PubChem CID 84647767) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is 5-aminopyridazine-4-carbonitrile.

Molecular Properties

Compound Name5-aminopyridazine-4-carbonitrile
PubChem CID84647767
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Name5-aminopyridazine-4-carbonitrile
SMILESN#Cc1cnncc1N
InChIInChI=1S/C5H4N4/c6-1-4-2-8-9-3-5(4)7/h2-3H,(H2,7,8)
InChIKeyWYLIQDJQLIYWHP-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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Frequently Asked Questions

What is the IUPAC name of 5-aminopyridazine-4-carbonitrile?
The IUPAC name of 5-aminopyridazine-4-carbonitrile (CID 84647767) is 5-aminopyridazine-4-carbonitrile.
What is the SMILES notation for 5-aminopyridazine-4-carbonitrile?
The canonical SMILES for 5-aminopyridazine-4-carbonitrile is N#Cc1cnncc1N.
What is the InChIKey of 5-aminopyridazine-4-carbonitrile?
The InChIKey is WYLIQDJQLIYWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c6-1-4-2-8-9-3-5(4)7/h2-3H,(H2,7,8).
What are the key properties of 5-aminopyridazine-4-carbonitrile?
5-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 5-aminopyridazine-4-carbonitrile is sourced from PubChem (CID 84647767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).