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

C11H15N5 — CID 55218602

IUPAC2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
SMILESCc1ccc(N2CCN(CC#N)CC2)nn1
InChIInChI=1S/C11H15N5/c1-10-2-3-11(14-13-10)16-8-6-15(5-4-12)7-9-16/h2-3H,5-9H2,1H3
InChIKeyCUUZYUDNGLBRHD-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.43
Rot. Bonds2

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

2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile (PubChem CID 55218602) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
PubChem CID55218602
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
SMILESCc1ccc(N2CCN(CC#N)CC2)nn1
InChIInChI=1S/C11H15N5/c1-10-2-3-11(14-13-10)16-8-6-15(5-4-12)7-9-16/h2-3H,5-9H2,1H3
InChIKeyCUUZYUDNGLBRHD-UHFFFAOYSA-N
XLogP0.43
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile (CID 55218602) is 2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile is Cc1ccc(N2CCN(CC#N)CC2)nn1.
What is the InChIKey of 2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile?
The InChIKey is CUUZYUDNGLBRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-10-2-3-11(14-13-10)16-8-6-15(5-4-12)7-9-16/h2-3H,5-9H2,1H3.
What are the key properties of 2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile?
2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile has a molecular weight of 217.28 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 55218602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).