2-N,4-N,6-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-tricarboxamide

C15H18N6O3 — CID 67297189

IUPAC2-N,4-N,6-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-tricarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)NCC=C)nc(C(=O)NCC=C)n1
InChIInChI=1S/C15H18N6O3/c1-4-7-16-13(22)10-19-11(14(23)17-8-5-2)21-12(20-10)15(24)18-9-6-3/h4-6H,1-3,7-9H2,(H,16,22)(H,17,23)(H,18,24)
InChIKeyQQTDYSHAPVTGIK-UHFFFAOYSA-N
MW330.35 g/mol
LogP-0.38
Rot. Bonds9

About 2-N,4-N,6-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-tricarboxamide

2-N,4-N,6-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-tricarboxamide (PubChem CID 67297189) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-tricarboxamide.

Molecular Properties

Compound Name2-N,4-N,6-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-tricarboxamide
PubChem CID67297189
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name2-N,4-N,6-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-tricarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)NCC=C)nc(C(=O)NCC=C)n1
InChIInChI=1S/C15H18N6O3/c1-4-7-16-13(22)10-19-11(14(23)17-8-5-2)21-12(20-10)15(24)18-9-6-3/h4-6H,1-3,7-9H2,(H,16,22)(H,17,23)(H,18,24)
InChIKeyQQTDYSHAPVTGIK-UHFFFAOYSA-N
XLogP-0.38
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
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,4-N,6-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-tricarboxamide?
The IUPAC name of 2-N,4-N,6-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-tricarboxamide (CID 67297189) is 2-N,4-N,6-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-tricarboxamide.
What is the SMILES notation for 2-N,4-N,6-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-tricarboxamide?
The canonical SMILES for 2-N,4-N,6-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-tricarboxamide is C=CCNC(=O)c1nc(C(=O)NCC=C)nc(C(=O)NCC=C)n1.
What is the InChIKey of 2-N,4-N,6-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-tricarboxamide?
The InChIKey is QQTDYSHAPVTGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-4-7-16-13(22)10-19-11(14(23)17-8-5-2)21-12(20-10)15(24)18-9-6-3/h4-6H,1-3,7-9H2,(H,16,22)(H,17,23)(H,18,24).
What are the key properties of 2-N,4-N,6-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-tricarboxamide?
2-N,4-N,6-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-tricarboxamide has a molecular weight of 330.35 g/mol, XLogP of -0.38, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-tricarboxamide is sourced from PubChem (CID 67297189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).