2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile

C12H16N4 — CID 116971897

IUPAC2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile
SMILESN#CCNc1ccc(C2CCCCC2)nn1
InChIInChI=1S/C12H16N4/c13-8-9-14-12-7-6-11(15-16-12)10-4-2-1-3-5-10/h6-7,10H,1-5,9H2,(H,14,16)
InChIKeyAACQPXVYXQYNKP-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.46
Rot. Bonds3

About 2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile

2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile (PubChem CID 116971897) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile
PubChem CID116971897
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile
SMILESN#CCNc1ccc(C2CCCCC2)nn1
InChIInChI=1S/C12H16N4/c13-8-9-14-12-7-6-11(15-16-12)10-4-2-1-3-5-10/h6-7,10H,1-5,9H2,(H,14,16)
InChIKeyAACQPXVYXQYNKP-UHFFFAOYSA-N
XLogP2.46
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine
CID 116970742
1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine
CID 116970844
1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine
CID 116970916
methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate
CID 116972034
2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid
CID 116971462
N-ethyl-6-(1-methylpiperidin-4-yl)pyridazin-3-amine
CID 116973215
6-cyclobutyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116971097
N-(azetidin-3-yl)-6-cyclopentylpyridazin-3-amine
CID 116970968
6-cyclopentyl-N-(morpholin-3-ylmethyl)pyridazin-3-amine
CID 116972241
6-(cyclohexylmethylamino)pyridazine-3-carbonitrile
CID 163350091
2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol
CID 116971289
2-[[6-(2-bromophenyl)pyridazin-3-yl]amino]acetonitrile
CID 116971899

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile?
The IUPAC name of 2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile (CID 116971897) is 2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile.
What is the SMILES notation for 2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile?
The canonical SMILES for 2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile is N#CCNc1ccc(C2CCCCC2)nn1.
What is the InChIKey of 2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile?
The InChIKey is AACQPXVYXQYNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-8-9-14-12-7-6-11(15-16-12)10-4-2-1-3-5-10/h6-7,10H,1-5,9H2,(H,14,16).
What are the key properties of 2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile?
2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile has a molecular weight of 216.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile is sourced from PubChem (CID 116971897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).