4-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

C7H13N5 — CID 118964216

IUPAC4-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESC=CC1N=C(N)NC(N(C)C)=N1
InChIInChI=1S/C7H13N5/c1-4-5-9-6(8)11-7(10-5)12(2)3/h4-5H,1H2,2-3H3,(H3,8,9,10,11)
InChIKeyTUCDZRIDHZMKDY-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.67
Rot. Bonds1

About 4-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

4-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 118964216) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 4-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name4-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID118964216
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name4-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESC=CC1N=C(N)NC(N(C)C)=N1
InChIInChI=1S/C7H13N5/c1-4-5-9-6(8)11-7(10-5)12(2)3/h4-5H,1H2,2-3H3,(H3,8,9,10,11)
InChIKeyTUCDZRIDHZMKDY-UHFFFAOYSA-N
XLogP-0.67
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine 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-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 4-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 118964216) is 4-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 4-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 4-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is C=CC1N=C(N)NC(N(C)C)=N1.
What is the InChIKey of 4-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is TUCDZRIDHZMKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-4-5-9-6(8)11-7(10-5)12(2)3/h4-5H,1H2,2-3H3,(H3,8,9,10,11).
What are the key properties of 4-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
4-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 167.22 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 118964216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).