3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile

C8H12N6 — CID 130532582

IUPAC3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)c1ncnc(N)n1
InChIInChI=1S/C8H12N6/c1-6(3-9)4-14(2)8-12-5-11-7(10)13-8/h5-6H,4H2,1-2H3,(H2,10,11,12,13)
InChIKeyCLVIZVKBIZHZSB-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.05
Rot. Bonds3

About 3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile

3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile (PubChem CID 130532582) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile
PubChem CID130532582
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)c1ncnc(N)n1
InChIInChI=1S/C8H12N6/c1-6(3-9)4-14(2)8-12-5-11-7(10)13-8/h5-6H,4H2,1-2H3,(H2,10,11,12,13)
InChIKeyCLVIZVKBIZHZSB-UHFFFAOYSA-N
XLogP0.05
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile 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-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile (CID 130532582) is 3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile is CC(C#N)CN(C)c1ncnc(N)n1.
What is the InChIKey of 3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile?
The InChIKey is CLVIZVKBIZHZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-6(3-9)4-14(2)8-12-5-11-7(10)13-8/h5-6H,4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile?
3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile has a molecular weight of 192.23 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 130532582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).