2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile

C14H14N4 — CID 116973901

IUPAC2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile
SMILESCc1ccccc1-c1ccc(N(C)CC#N)nn1
InChIInChI=1S/C14H14N4/c1-11-5-3-4-6-12(11)13-7-8-14(17-16-13)18(2)10-9-15/h3-8H,10H2,1-2H3
InChIKeyMBXRPJSXUUZJBY-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.41
Rot. Bonds3

About 2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile

2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile (PubChem CID 116973901) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile
PubChem CID116973901
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile
SMILESCc1ccccc1-c1ccc(N(C)CC#N)nn1
InChIInChI=1S/C14H14N4/c1-11-5-3-4-6-12(11)13-7-8-14(17-16-13)18(2)10-9-15/h3-8H,10H2,1-2H3
InChIKeyMBXRPJSXUUZJBY-UHFFFAOYSA-N
XLogP2.41
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile?
The IUPAC name of 2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile (CID 116973901) is 2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile.
What is the SMILES notation for 2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile?
The canonical SMILES for 2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile is Cc1ccccc1-c1ccc(N(C)CC#N)nn1.
What is the InChIKey of 2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile?
The InChIKey is MBXRPJSXUUZJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-11-5-3-4-6-12(11)13-7-8-14(17-16-13)18(2)10-9-15/h3-8H,10H2,1-2H3.
What are the key properties of 2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile?
2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-(2-methylphenyl)pyridazin-3-yl]amino]acetonitrile is sourced from PubChem (CID 116973901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).