(2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane

C6H13N3 — CID 3038684

IUPAC(2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane
SMILESCC1N2[C@H](C)N[C@@H](C)N12
InChIInChI=1S/C6H13N3/c1-4-7-5(2)9-6(3)8(4)9/h4-7H,1-3H3/t4-,5-,6?,8?,9?/m1/s1
InChIKeyRTZLTXRMHPWODA-BCVWCTNASA-N
MW127.19 g/mol
LogP0.16
Rot. Bonds

About (2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane

(2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane (PubChem CID 3038684) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane
PubChem CID3038684
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane
SMILESCC1N2[C@H](C)N[C@@H](C)N12
InChIInChI=1S/C6H13N3/c1-4-7-5(2)9-6(3)8(4)9/h4-7H,1-3H3/t4-,5-,6?,8?,9?/m1/s1
InChIKeyRTZLTXRMHPWODA-BCVWCTNASA-N
XLogP0.16
TPSA18.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane?
The IUPAC name of (2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane (CID 3038684) is (2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane.
What is the SMILES notation for (2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane?
The canonical SMILES for (2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane is CC1N2[C@H](C)N[C@@H](C)N12.
What is the InChIKey of (2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane?
The InChIKey is RTZLTXRMHPWODA-BCVWCTNASA-N. The full InChI is InChI=1S/C6H13N3/c1-4-7-5(2)9-6(3)8(4)9/h4-7H,1-3H3/t4-,5-,6?,8?,9?/m1/s1.
What are the key properties of (2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane?
(2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane has a molecular weight of 127.19 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane is sourced from PubChem (CID 3038684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).