2-(4-amino-1,3,5-triazin-2-yl)acetonitrile

C5H5N5 — CID 53416270

IUPAC2-(4-amino-1,3,5-triazin-2-yl)acetonitrile
SMILESN#CCc1ncnc(N)n1
InChIInChI=1S/C5H5N5/c6-2-1-4-8-3-9-5(7)10-4/h3H,1H2,(H2,7,8,9,10)
InChIKeyRNJZTQPJTWQOLQ-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.48
Rot. Bonds1

About 2-(4-amino-1,3,5-triazin-2-yl)acetonitrile

2-(4-amino-1,3,5-triazin-2-yl)acetonitrile (PubChem CID 53416270) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 2-(4-amino-1,3,5-triazin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-amino-1,3,5-triazin-2-yl)acetonitrile
PubChem CID53416270
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name2-(4-amino-1,3,5-triazin-2-yl)acetonitrile
SMILESN#CCc1ncnc(N)n1
InChIInChI=1S/C5H5N5/c6-2-1-4-8-3-9-5(7)10-4/h3H,1H2,(H2,7,8,9,10)
InChIKeyRNJZTQPJTWQOLQ-UHFFFAOYSA-N
XLogP-0.48
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-amino-1,3,5-triazin-2-yl)acetonitrile 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-(4-amino-1,3,5-triazin-2-yl)acetonitrile?
The IUPAC name of 2-(4-amino-1,3,5-triazin-2-yl)acetonitrile (CID 53416270) is 2-(4-amino-1,3,5-triazin-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-amino-1,3,5-triazin-2-yl)acetonitrile?
The canonical SMILES for 2-(4-amino-1,3,5-triazin-2-yl)acetonitrile is N#CCc1ncnc(N)n1.
What is the InChIKey of 2-(4-amino-1,3,5-triazin-2-yl)acetonitrile?
The InChIKey is RNJZTQPJTWQOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c6-2-1-4-8-3-9-5(7)10-4/h3H,1H2,(H2,7,8,9,10).
What are the key properties of 2-(4-amino-1,3,5-triazin-2-yl)acetonitrile?
2-(4-amino-1,3,5-triazin-2-yl)acetonitrile has a molecular weight of 135.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,3,5-triazin-2-yl)acetonitrile is sourced from PubChem (CID 53416270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).