ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile

C13H21N5 — CID 145197934

IUPACethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
SMILESCC.Cc1ccc(N2CCN(CC#N)CC2)nn1
InChIInChI=1S/C11H15N5.C2H6/c1-10-2-3-11(14-13-10)16-8-6-15(5-4-12)7-9-16;1-2/h2-3H,5-9H2,1H3;1-2H3
InChIKeyMKGMSFZGSZFHOT-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.46
Rot. Bonds2

About ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile

ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile (PubChem CID 145197934) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Nameethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
PubChem CID145197934
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Nameethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
SMILESCC.Cc1ccc(N2CCN(CC#N)CC2)nn1
InChIInChI=1S/C11H15N5.C2H6/c1-10-2-3-11(14-13-10)16-8-6-15(5-4-12)7-9-16;1-2/h2-3H,5-9H2,1H3;1-2H3
InChIKeyMKGMSFZGSZFHOT-UHFFFAOYSA-N
XLogP1.46
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
CID 55218602
ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propanenitrile
CID 145197896
2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine
CID 61312903
4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 155981001
3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
CID 80670031
3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine
CID 171069967
2-[4-(4-methylphenyl)piperazin-1-yl]acetonitrile
CID 82113708
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
4-(6-methylpyridazin-3-yl)thiomorpholine
CID 143735554
1-(6-methylpyridazin-3-yl)piperidin-4-amine
CID 61311173
1-(6-methylpyridazin-3-yl)piperidin-4-one
CID 61314103
3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122282433

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile?
The IUPAC name of ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile (CID 145197934) is ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile?
The canonical SMILES for ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile is CC.Cc1ccc(N2CCN(CC#N)CC2)nn1.
What is the InChIKey of ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile?
The InChIKey is MKGMSFZGSZFHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5.C2H6/c1-10-2-3-11(14-13-10)16-8-6-15(5-4-12)7-9-16;1-2/h2-3H,5-9H2,1H3;1-2H3.
What are the key properties of ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile?
ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile has a molecular weight of 247.35 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 145197934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).