2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine

C15H22N6 — CID 21387476

IUPAC2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCN(CC=C)c1nc(N)nc(N(CC=C)CC=C)n1
InChIInChI=1S/C15H22N6/c1-5-9-20(10-6-2)14-17-13(16)18-15(19-14)21(11-7-3)12-8-4/h5-8H,1-4,9-12H2,(H2,16,17,18,19)
InChIKeyPHMSEKBJSMBNKX-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.81
Rot. Bonds10

About 2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 21387476) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID21387476
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCN(CC=C)c1nc(N)nc(N(CC=C)CC=C)n1
InChIInChI=1S/C15H22N6/c1-5-9-20(10-6-2)14-17-13(16)18-15(19-14)21(11-7-3)12-8-4/h5-8H,1-4,9-12H2,(H2,16,17,18,19)
InChIKeyPHMSEKBJSMBNKX-UHFFFAOYSA-N
XLogP1.81
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine (CID 21387476) is 2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine is C=CCN(CC=C)c1nc(N)nc(N(CC=C)CC=C)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PHMSEKBJSMBNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-5-9-20(10-6-2)14-17-13(16)18-15(19-14)21(11-7-3)12-8-4/h5-8H,1-4,9-12H2,(H2,16,17,18,19).
What are the key properties of 2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 286.38 g/mol, XLogP of 1.81, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 21387476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).