3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile

C15H22N4 — CID 133479818

IUPAC3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile
SMILESCC(C)C1CCCC(Nc2nccnc2C#N)CC1
InChIInChI=1S/C15H22N4/c1-11(2)12-4-3-5-13(7-6-12)19-15-14(10-16)17-8-9-18-15/h8-9,11-13H,3-7H2,1-2H3,(H,18,19)
InChIKeyXNKDTRGDPXUBHA-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.37
Rot. Bonds3

About 3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile

3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile (PubChem CID 133479818) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile
PubChem CID133479818
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile
SMILESCC(C)C1CCCC(Nc2nccnc2C#N)CC1
InChIInChI=1S/C15H22N4/c1-11(2)12-4-3-5-13(7-6-12)19-15-14(10-16)17-8-9-18-15/h8-9,11-13H,3-7H2,1-2H3,(H,18,19)
InChIKeyXNKDTRGDPXUBHA-UHFFFAOYSA-N
XLogP3.37
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile 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 3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile (CID 133479818) is 3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile is CC(C)C1CCCC(Nc2nccnc2C#N)CC1.
What is the InChIKey of 3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile?
The InChIKey is XNKDTRGDPXUBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11(2)12-4-3-5-13(7-6-12)19-15-14(10-16)17-8-9-18-15/h8-9,11-13H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile?
3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133479818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).