2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine

C11H19N9 — CID 80829386

IUPAC2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCCc2nncn2C)nc(N(C)C)n1
InChIInChI=1S/C11H19N9/c1-12-9-15-10(17-11(16-9)19(2)3)13-6-5-8-18-14-7-20(8)4/h7H,5-6H2,1-4H3,(H2,12,13,15,16,17)
InChIKeyFPUWDOPXGYFGQM-UHFFFAOYSA-N
MW277.34 g/mol
LogP-0.24
Rot. Bonds6

About 2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine

2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 80829386) has the molecular formula C11H19N9 and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID80829386
Molecular FormulaC11H19N9
Molecular Weight277.34 g/mol
Exact Mass277.18
IUPAC Name2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCCc2nncn2C)nc(N(C)C)n1
InChIInChI=1S/C11H19N9/c1-12-9-15-10(17-11(16-9)19(2)3)13-6-5-8-18-14-7-20(8)4/h7H,5-6H2,1-4H3,(H2,12,13,15,16,17)
InChIKeyFPUWDOPXGYFGQM-UHFFFAOYSA-N
XLogP-0.24
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 63330863
4-N-[2-(dimethylamino)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80770283
4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80829551
2-N,2-N,6-N-trimethyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80839638
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80835200
4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 63330777
N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
CID 63332293
4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816587
2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80830333
2-N,2-N,6-N-trimethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80777256
4-chloro-6-imidazol-1-yl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 63330775

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 80829386) is 2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is CNc1nc(NCCc2nncn2C)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FPUWDOPXGYFGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N9/c1-12-9-15-10(17-11(16-9)19(2)3)13-6-5-8-18-14-7-20(8)4/h7H,5-6H2,1-4H3,(H2,12,13,15,16,17).
What are the key properties of 2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 277.34 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80829386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).