4-amino-1,3,5-triazine-2-carbonitrile

C4H3N5 — CID 66803206

IUPAC4-amino-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1ncnc(N)n1
InChIInChI=1S/C4H3N5/c5-1-3-7-2-8-4(6)9-3/h2H,(H2,6,7,8,9)
InChIKeyXYYOBBRXDXDHHO-UHFFFAOYSA-N
MW121.10 g/mol
LogP-0.67
Rot. Bonds

About 4-amino-1,3,5-triazine-2-carbonitrile

4-amino-1,3,5-triazine-2-carbonitrile (PubChem CID 66803206) has the molecular formula C4H3N5 and a molecular weight of 121.10 g/mol. Its IUPAC name is 4-amino-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-1,3,5-triazine-2-carbonitrile
PubChem CID66803206
Molecular FormulaC4H3N5
Molecular Weight121.10 g/mol
Exact Mass121.04
IUPAC Name4-amino-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1ncnc(N)n1
InChIInChI=1S/C4H3N5/c5-1-3-7-2-8-4(6)9-3/h2H,(H2,6,7,8,9)
InChIKeyXYYOBBRXDXDHHO-UHFFFAOYSA-N
XLogP-0.67
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-1,3,5-triazine-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 4-amino-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-amino-1,3,5-triazine-2-carbonitrile (CID 66803206) is 4-amino-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-amino-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-amino-1,3,5-triazine-2-carbonitrile is N#Cc1ncnc(N)n1.
What is the InChIKey of 4-amino-1,3,5-triazine-2-carbonitrile?
The InChIKey is XYYOBBRXDXDHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5/c5-1-3-7-2-8-4(6)9-3/h2H,(H2,6,7,8,9).
What are the key properties of 4-amino-1,3,5-triazine-2-carbonitrile?
4-amino-1,3,5-triazine-2-carbonitrile has a molecular weight of 121.10 g/mol, XLogP of -0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 66803206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).