hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate

C6H19N6O3+ — CID 174669762

IUPAChydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate
SMILESCNc1nc(NC)nc(NC)n1.O.O.O.[H+]
InChIInChI=1S/C6H12N6.3H2O/c1-7-4-10-5(8-2)12-6(9-3)11-4;;;/h1-3H3,(H3,7,8,9,10,11,12);3*1H2/p+1
InChIKeyPICLGTWFLVDPOS-UHFFFAOYSA-O
MW223.26 g/mol
LogP-2.36
Rot. Bonds3

About hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate

hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate (PubChem CID 174669762) has the molecular formula C6H19N6O3+ and a molecular weight of 223.26 g/mol. Its IUPAC name is hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate.

Molecular Properties

Compound Namehydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate
PubChem CID174669762
Molecular FormulaC6H19N6O3+
Molecular Weight223.26 g/mol
Exact Mass223.15
IUPAC Namehydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate
SMILESCNc1nc(NC)nc(NC)n1.O.O.O.[H+]
InChIInChI=1S/C6H12N6.3H2O/c1-7-4-10-5(8-2)12-6(9-3)11-4;;;/h1-3H3,(H3,7,8,9,10,11,12);3*1H2/p+1
InChIKeyPICLGTWFLVDPOS-UHFFFAOYSA-O
XLogP-2.36
TPSA169.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 5-2.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 17804
2-N,4-N-dichloro-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 154732087
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58763740
2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile
CID 123592748
2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19357503
6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 119092780
2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 154968468
6-(chloromethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 163643487
6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 163618571
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 135042322
2-N,5-N,5-N-trimethylpyrimidine-2,4,5,6-tetramine
CID 21483311
4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 70472300

Frequently Asked Questions

What is the IUPAC name of hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate?
The IUPAC name of hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate (CID 174669762) is hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate.
What is the SMILES notation for hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate?
The canonical SMILES for hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate is CNc1nc(NC)nc(NC)n1.O.O.O.[H+].
What is the InChIKey of hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate?
The InChIKey is PICLGTWFLVDPOS-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12N6.3H2O/c1-7-4-10-5(8-2)12-6(9-3)11-4;;;/h1-3H3,(H3,7,8,9,10,11,12);3*1H2/p+1.
What are the key properties of hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate?
hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate has a molecular weight of 223.26 g/mol, XLogP of -2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate is sourced from PubChem (CID 174669762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).