4-aminopyridazine-3-carbonitrile

C5H4N4 — CID 6415966

IUPAC4-aminopyridazine-3-carbonitrile
SMILESN#Cc1nnccc1N
InChIInChI=1S/C5H4N4/c6-3-5-4(7)1-2-8-9-5/h1-2H,(H2,7,8)
InChIKeyYNFPHUZEKFZAMU-UHFFFAOYSA-N
MW120.11 g/mol
LogP-0.07
Rot. Bonds

About 4-aminopyridazine-3-carbonitrile

4-aminopyridazine-3-carbonitrile (PubChem CID 6415966) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is 4-aminopyridazine-3-carbonitrile.

Molecular Properties

Compound Name4-aminopyridazine-3-carbonitrile
PubChem CID6415966
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Name4-aminopyridazine-3-carbonitrile
SMILESN#Cc1nnccc1N
InChIInChI=1S/C5H4N4/c6-3-5-4(7)1-2-8-9-5/h1-2H,(H2,7,8)
InChIKeyYNFPHUZEKFZAMU-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 4-aminopyridazine-3-carbonitrile?
The IUPAC name of 4-aminopyridazine-3-carbonitrile (CID 6415966) is 4-aminopyridazine-3-carbonitrile.
What is the SMILES notation for 4-aminopyridazine-3-carbonitrile?
The canonical SMILES for 4-aminopyridazine-3-carbonitrile is N#Cc1nnccc1N.
What is the InChIKey of 4-aminopyridazine-3-carbonitrile?
The InChIKey is YNFPHUZEKFZAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c6-3-5-4(7)1-2-8-9-5/h1-2H,(H2,7,8).
What are the key properties of 4-aminopyridazine-3-carbonitrile?
4-aminopyridazine-3-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 4-aminopyridazine-3-carbonitrile is sourced from PubChem (CID 6415966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).