6-prop-2-enyl-1,3,5-triazine-2,4-diamine

C6H9N5 — CID 4133398

IUPAC6-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCc1nc(N)nc(N)n1
InChIInChI=1S/C6H9N5/c1-2-3-4-9-5(7)11-6(8)10-4/h2H,1,3H2,(H4,7,8,9,10,11)
InChIKeyGTULHXHKEHMLOC-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.24
Rot. Bonds2

About 6-prop-2-enyl-1,3,5-triazine-2,4-diamine

6-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 4133398) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 6-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID4133398
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name6-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCc1nc(N)nc(N)n1
InChIInChI=1S/C6H9N5/c1-2-3-4-9-5(7)11-6(8)10-4/h2H,1,3H2,(H4,7,8,9,10,11)
InChIKeyGTULHXHKEHMLOC-UHFFFAOYSA-N
XLogP-0.24
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-prop-2-enyl-1,3,5-triazine-2,4-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 6-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 4133398) is 6-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCc1nc(N)nc(N)n1.
What is the InChIKey of 6-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GTULHXHKEHMLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-2-3-4-9-5(7)11-6(8)10-4/h2H,1,3H2,(H4,7,8,9,10,11).
What are the key properties of 6-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 151.17 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 4133398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).