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

C14H23N5 — CID 145197896

IUPACethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propanenitrile
SMILESCC.Cc1ccc(N2CCN(C(C)C#N)CC2)nn1
InChIInChI=1S/C12H17N5.C2H6/c1-10-3-4-12(15-14-10)17-7-5-16(6-8-17)11(2)9-13;1-2/h3-4,11H,5-8H2,1-2H3;1-2H3
InChIKeyHNBOGNIBJMVQMK-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.85
Rot. Bonds2

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

ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propanenitrile (PubChem CID 145197896) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Nameethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propanenitrile
PubChem CID145197896
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Nameethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propanenitrile
SMILESCC.Cc1ccc(N2CCN(C(C)C#N)CC2)nn1
InChIInChI=1S/C12H17N5.C2H6/c1-10-3-4-12(15-14-10)17-7-5-16(6-8-17)11(2)9-13;1-2/h3-4,11H,5-8H2,1-2H3;1-2H3
InChIKeyHNBOGNIBJMVQMK-UHFFFAOYSA-N
XLogP1.85
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
CID 145197934
2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
CID 55218602
4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 155981001
2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine
CID 61312903
2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile
CID 65417963
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
4-(6-methylpyridazin-3-yl)thiomorpholine
CID 143735554
2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanenitrile
CID 136973037
2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propanenitrile
CID 65209826
1-(6-methylpyridazin-3-yl)piperidin-4-amine
CID 61311173
1-(6-methylpyridazin-3-yl)piperidin-4-one
CID 61314103
3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
CID 80670031

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propanenitrile?
The IUPAC name of ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propanenitrile (CID 145197896) is ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propanenitrile?
The canonical SMILES for ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propanenitrile is CC.Cc1ccc(N2CCN(C(C)C#N)CC2)nn1.
What is the InChIKey of ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propanenitrile?
The InChIKey is HNBOGNIBJMVQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5.C2H6/c1-10-3-4-12(15-14-10)17-7-5-16(6-8-17)11(2)9-13;1-2/h3-4,11H,5-8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propanenitrile?
ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propanenitrile has a molecular weight of 261.37 g/mol, XLogP of 1.85, 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]propanenitrile is sourced from PubChem (CID 145197896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).