2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine

C8H17N12+ — CID 159305843

IUPAC2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine
SMILESCNc1nc(N)nc(N)[nH+]1.CNc1nc(N)nc(N)n1
InChIInChI=1S/2C4H8N6/c2*1-7-4-9-2(5)8-3(6)10-4/h2*1H3,(H5,5,6,7,8,9,10)/p+1
InChIKeyCDDJPYZDRLVMJE-UHFFFAOYSA-O
MW281.31 g/mol
LogP-2.43
Rot. Bonds2

About 2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine

2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine (PubChem CID 159305843) has the molecular formula C8H17N12+ and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine.

Molecular Properties

Compound Name2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine
PubChem CID159305843
Molecular FormulaC8H17N12+
Molecular Weight281.31 g/mol
Exact Mass281.17
IUPAC Name2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine
SMILESCNc1nc(N)nc(N)[nH+]1.CNc1nc(N)nc(N)n1
InChIInChI=1S/2C4H8N6/c2*1-7-4-9-2(5)8-3(6)10-4/h2*1H3,(H5,5,6,7,8,9,10)/p+1
InChIKeyCDDJPYZDRLVMJE-UHFFFAOYSA-O
XLogP-2.43
TPSA206.73 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500281.31
LogP ≤ 5-2.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 173423869
ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine)
CID 173065956
2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19357503
2-N-methyl-6-nitroso-1,3,5-triazine-2,4-diamine
CID 174411106
2-N,5-N,5-N-trimethylpyrimidine-2,4,5,6-tetramine
CID 21483311
2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 17804
6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 67336723
6-cyclohexyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 67217441
1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493
1,3,5-triazine-2,4,6-triamine
CID 22011128
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine?
The IUPAC name of 2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine (CID 159305843) is 2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine.
What is the SMILES notation for 2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine?
The canonical SMILES for 2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine is CNc1nc(N)nc(N)[nH+]1.CNc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine?
The InChIKey is CDDJPYZDRLVMJE-UHFFFAOYSA-O. The full InChI is InChI=1S/2C4H8N6/c2*1-7-4-9-2(5)8-3(6)10-4/h2*1H3,(H5,5,6,7,8,9,10)/p+1.
What are the key properties of 2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine?
2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine has a molecular weight of 281.31 g/mol, XLogP of -2.43, 2 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine is sourced from PubChem (CID 159305843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).