[4-[di(propan-2-yl)amino]-6-(trimethylazaniumyl)-1,3,5-triazin-2-yl]-trimethylazanium

C15H32N6+2 — CID 162403946

IUPAC[4-[di(propan-2-yl)amino]-6-(trimethylazaniumyl)-1,3,5-triazin-2-yl]-trimethylazanium
SMILESCC(C)N(c1nc([N+](C)(C)C)nc([N+](C)(C)C)n1)C(C)C
InChIInChI=1S/C15H32N6/c1-11(2)19(12(3)4)13-16-14(20(5,6)7)18-15(17-13)21(8,9)10/h11-12H,1-10H3/q+2
InChIKeyHNARXOHGLYEYAQ-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.89
Rot. Bonds5

About [4-[di(propan-2-yl)amino]-6-(trimethylazaniumyl)-1,3,5-triazin-2-yl]-trimethylazanium

[4-[di(propan-2-yl)amino]-6-(trimethylazaniumyl)-1,3,5-triazin-2-yl]-trimethylazanium (PubChem CID 162403946) has the molecular formula C15H32N6+2 and a molecular weight of 296.46 g/mol. Its IUPAC name is [4-[di(propan-2-yl)amino]-6-(trimethylazaniumyl)-1,3,5-triazin-2-yl]-trimethylazanium.

Molecular Properties

Compound Name[4-[di(propan-2-yl)amino]-6-(trimethylazaniumyl)-1,3,5-triazin-2-yl]-trimethylazanium
PubChem CID162403946
Molecular FormulaC15H32N6+2
Molecular Weight296.46 g/mol
Exact Mass296.27
IUPAC Name[4-[di(propan-2-yl)amino]-6-(trimethylazaniumyl)-1,3,5-triazin-2-yl]-trimethylazanium
SMILESCC(C)N(c1nc([N+](C)(C)C)nc([N+](C)(C)C)n1)C(C)C
InChIInChI=1S/C15H32N6/c1-11(2)19(12(3)4)13-16-14(20(5,6)7)18-15(17-13)21(8,9)10/h11-12H,1-10H3/q+2
InChIKeyHNARXOHGLYEYAQ-UHFFFAOYSA-N
XLogP1.89
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Chlorazine
CID 11380
Heptazine
CID 15950
2,4,6-Tris(diethylamino)-1,3,5-triazine
CID 17806
2-N,2-N-Diethyl-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
CID 27777
s-Triazine, 2,6-diamino-4-dipropylamino-
CID 121256
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]ethylcyanamide
CID 773462
AG-F-96600
CID 21818
s-Triazine, 2,4-bis(diethylamino)-6-fluoro-
CID 15334
Dibutylmelamine
CID 11310965
1,3,5-Triazine-2,4-diamine, N2,N2,N4,N4-tetrabutyl-6-chloro-
CID 3750346
2-N-ethyl-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine
CID 326492
N-[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl]-N,N-dimethylamine
CID 1119847

Frequently Asked Questions

What is the IUPAC name of [4-[di(propan-2-yl)amino]-6-(trimethylazaniumyl)-1,3,5-triazin-2-yl]-trimethylazanium?
The IUPAC name of [4-[di(propan-2-yl)amino]-6-(trimethylazaniumyl)-1,3,5-triazin-2-yl]-trimethylazanium (CID 162403946) is [4-[di(propan-2-yl)amino]-6-(trimethylazaniumyl)-1,3,5-triazin-2-yl]-trimethylazanium.
What is the SMILES notation for [4-[di(propan-2-yl)amino]-6-(trimethylazaniumyl)-1,3,5-triazin-2-yl]-trimethylazanium?
The canonical SMILES for [4-[di(propan-2-yl)amino]-6-(trimethylazaniumyl)-1,3,5-triazin-2-yl]-trimethylazanium is CC(C)N(c1nc([N+](C)(C)C)nc([N+](C)(C)C)n1)C(C)C.
What is the InChIKey of [4-[di(propan-2-yl)amino]-6-(trimethylazaniumyl)-1,3,5-triazin-2-yl]-trimethylazanium?
The InChIKey is HNARXOHGLYEYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N6/c1-11(2)19(12(3)4)13-16-14(20(5,6)7)18-15(17-13)21(8,9)10/h11-12H,1-10H3/q+2.
What are the key properties of [4-[di(propan-2-yl)amino]-6-(trimethylazaniumyl)-1,3,5-triazin-2-yl]-trimethylazanium?
[4-[di(propan-2-yl)amino]-6-(trimethylazaniumyl)-1,3,5-triazin-2-yl]-trimethylazanium has a molecular weight of 296.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[di(propan-2-yl)amino]-6-(trimethylazaniumyl)-1,3,5-triazin-2-yl]-trimethylazanium is sourced from PubChem (CID 162403946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).