1,2,4-triazine-6-carbonitrile

C4H2N4 — CID 54480857

IUPAC1,2,4-triazine-6-carbonitrile
SMILESN#Cc1cncnn1
InChIInChI=1S/C4H2N4/c5-1-4-2-6-3-7-8-4/h2-3H
InChIKeyXOXCGVGVMDZKLG-UHFFFAOYSA-N
MW106.09 g/mol
LogP-0.26
Rot. Bonds

About 1,2,4-triazine-6-carbonitrile

1,2,4-triazine-6-carbonitrile (PubChem CID 54480857) has the molecular formula C4H2N4 and a molecular weight of 106.09 g/mol. Its IUPAC name is 1,2,4-triazine-6-carbonitrile.

Molecular Properties

Compound Name1,2,4-triazine-6-carbonitrile
PubChem CID54480857
Molecular FormulaC4H2N4
Molecular Weight106.09 g/mol
Exact Mass106.03
IUPAC Name1,2,4-triazine-6-carbonitrile
SMILESN#Cc1cncnn1
InChIInChI=1S/C4H2N4/c5-1-4-2-6-3-7-8-4/h2-3H
InChIKeyXOXCGVGVMDZKLG-UHFFFAOYSA-N
XLogP-0.26
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.09
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2,4-triazine-6-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 1,2,4-triazine-6-carbonitrile?
The IUPAC name of 1,2,4-triazine-6-carbonitrile (CID 54480857) is 1,2,4-triazine-6-carbonitrile.
What is the SMILES notation for 1,2,4-triazine-6-carbonitrile?
The canonical SMILES for 1,2,4-triazine-6-carbonitrile is N#Cc1cncnn1.
What is the InChIKey of 1,2,4-triazine-6-carbonitrile?
The InChIKey is XOXCGVGVMDZKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N4/c5-1-4-2-6-3-7-8-4/h2-3H.
What are the key properties of 1,2,4-triazine-6-carbonitrile?
1,2,4-triazine-6-carbonitrile has a molecular weight of 106.09 g/mol, XLogP of -0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 54480857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).