2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile

C14H20N4S — CID 55249680

IUPAC2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile
SMILESCC(C#N)(CCCCSc1cnccn1)NC1CC1
InChIInChI=1S/C14H20N4S/c1-14(11-15,18-12-4-5-12)6-2-3-9-19-13-10-16-7-8-17-13/h7-8,10,12,18H,2-6,9H2,1H3
InChIKeyDANDRCFQMZKLCV-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.77
Rot. Bonds8

About 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile

2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile (PubChem CID 55249680) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile
PubChem CID55249680
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile
SMILESCC(C#N)(CCCCSc1cnccn1)NC1CC1
InChIInChI=1S/C14H20N4S/c1-14(11-15,18-12-4-5-12)6-2-3-9-19-13-10-16-7-8-17-13/h7-8,10,12,18H,2-6,9H2,1H3
InChIKeyDANDRCFQMZKLCV-UHFFFAOYSA-N
XLogP2.77
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile (CID 55249680) is 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile is CC(C#N)(CCCCSc1cnccn1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile?
The InChIKey is DANDRCFQMZKLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-14(11-15,18-12-4-5-12)6-2-3-9-19-13-10-16-7-8-17-13/h7-8,10,12,18H,2-6,9H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile?
2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile has a molecular weight of 276.41 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanenitrile is sourced from PubChem (CID 55249680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).