3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carbonitrile

C12H16N4O — CID 55104310

IUPAC3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NC1(CO)CCCCC1
InChIInChI=1S/C12H16N4O/c13-8-10-11(15-7-6-14-10)16-12(9-17)4-2-1-3-5-12/h6-7,17H,1-5,9H2,(H,15,16)
InChIKeyRNGJJQHENJBXIP-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.46
Rot. Bonds3

About 3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carbonitrile

3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carbonitrile (PubChem CID 55104310) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carbonitrile
PubChem CID55104310
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NC1(CO)CCCCC1
InChIInChI=1S/C12H16N4O/c13-8-10-11(15-7-6-14-10)16-12(9-17)4-2-1-3-5-12/h6-7,17H,1-5,9H2,(H,15,16)
InChIKeyRNGJJQHENJBXIP-UHFFFAOYSA-N
XLogP1.46
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(hydroxymethyl)cyclohexyl]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-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carbonitrile (CID 55104310) is 3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carbonitrile is N#Cc1nccnc1NC1(CO)CCCCC1.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carbonitrile?
The InChIKey is RNGJJQHENJBXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-8-10-11(15-7-6-14-10)16-12(9-17)4-2-1-3-5-12/h6-7,17H,1-5,9H2,(H,15,16).
What are the key properties of 3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carbonitrile?
3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 55104310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).