3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane

C6H13N3 — CID 146667867

IUPAC3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane
SMILESCN1CC2N(C)CN2C1
InChIInChI=1S/C6H13N3/c1-7-3-6-8(2)5-9(6)4-7/h6H,3-5H2,1-2H3
InChIKeyUZMARXOKCVNTAP-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.58
Rot. Bonds

About 3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane

3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane (PubChem CID 146667867) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane
PubChem CID146667867
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane
SMILESCN1CC2N(C)CN2C1
InChIInChI=1S/C6H13N3/c1-7-3-6-8(2)5-9(6)4-7/h6H,3-5H2,1-2H3
InChIKeyUZMARXOKCVNTAP-UHFFFAOYSA-N
XLogP-0.58
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane?
The IUPAC name of 3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane (CID 146667867) is 3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane.
What is the SMILES notation for 3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane?
The canonical SMILES for 3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane is CN1CC2N(C)CN2C1.
What is the InChIKey of 3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane?
The InChIKey is UZMARXOKCVNTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-7-3-6-8(2)5-9(6)4-7/h6H,3-5H2,1-2H3.
What are the key properties of 3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane?
3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane has a molecular weight of 127.19 g/mol, XLogP of -0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane is sourced from PubChem (CID 146667867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).