2,4,6-trimethyl-1,3,5-triazinane;hydrate

C6H17N3O — CID 156588362

IUPAC2,4,6-trimethyl-1,3,5-triazinane;hydrate
SMILESCC1NC(C)NC(C)N1.O
InChIInChI=1S/C6H15N3.H2O/c1-4-7-5(2)9-6(3)8-4;/h4-9H,1-3H3;1H2
InChIKeyUKVKUSPCQVEQAO-UHFFFAOYSA-N
MW147.22 g/mol
LogP-1.02
Rot. Bonds

About 2,4,6-trimethyl-1,3,5-triazinane;hydrate

2,4,6-trimethyl-1,3,5-triazinane;hydrate (PubChem CID 156588362) has the molecular formula C6H17N3O and a molecular weight of 147.22 g/mol. Its IUPAC name is 2,4,6-trimethyl-1,3,5-triazinane;hydrate.

Molecular Properties

Compound Name2,4,6-trimethyl-1,3,5-triazinane;hydrate
PubChem CID156588362
Molecular FormulaC6H17N3O
Molecular Weight147.22 g/mol
Exact Mass147.14
IUPAC Name2,4,6-trimethyl-1,3,5-triazinane;hydrate
SMILESCC1NC(C)NC(C)N1.O
InChIInChI=1S/C6H15N3.H2O/c1-4-7-5(2)9-6(3)8-4;/h4-9H,1-3H3;1H2
InChIKeyUKVKUSPCQVEQAO-UHFFFAOYSA-N
XLogP-1.02
TPSA67.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-1,3,5-triazinane;hydrate?
The IUPAC name of 2,4,6-trimethyl-1,3,5-triazinane;hydrate (CID 156588362) is 2,4,6-trimethyl-1,3,5-triazinane;hydrate.
What is the SMILES notation for 2,4,6-trimethyl-1,3,5-triazinane;hydrate?
The canonical SMILES for 2,4,6-trimethyl-1,3,5-triazinane;hydrate is CC1NC(C)NC(C)N1.O.
What is the InChIKey of 2,4,6-trimethyl-1,3,5-triazinane;hydrate?
The InChIKey is UKVKUSPCQVEQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3.H2O/c1-4-7-5(2)9-6(3)8-4;/h4-9H,1-3H3;1H2.
What are the key properties of 2,4,6-trimethyl-1,3,5-triazinane;hydrate?
2,4,6-trimethyl-1,3,5-triazinane;hydrate has a molecular weight of 147.22 g/mol, XLogP of -1.02, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-1,3,5-triazinane;hydrate is sourced from PubChem (CID 156588362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).