3,6-dimethyl-1,2,4,5-tetrazinane

C4H12N4 — CID 53487952

IUPAC3,6-dimethyl-1,2,4,5-tetrazinane
SMILESCC1NNC(C)NN1
InChIInChI=1S/C4H12N4/c1-3-5-7-4(2)8-6-3/h3-8H,1-2H3
InChIKeyNKTSKXSUDLXBJV-UHFFFAOYSA-N
MW116.17 g/mol
LogP-1.12
Rot. Bonds

About 3,6-dimethyl-1,2,4,5-tetrazinane

3,6-dimethyl-1,2,4,5-tetrazinane (PubChem CID 53487952) has the molecular formula C4H12N4 and a molecular weight of 116.17 g/mol. Its IUPAC name is 3,6-dimethyl-1,2,4,5-tetrazinane.

Molecular Properties

Compound Name3,6-dimethyl-1,2,4,5-tetrazinane
PubChem CID53487952
Molecular FormulaC4H12N4
Molecular Weight116.17 g/mol
Exact Mass116.11
IUPAC Name3,6-dimethyl-1,2,4,5-tetrazinane
SMILESCC1NNC(C)NN1
InChIInChI=1S/C4H12N4/c1-3-5-7-4(2)8-6-3/h3-8H,1-2H3
InChIKeyNKTSKXSUDLXBJV-UHFFFAOYSA-N
XLogP-1.12
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.17
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1,2,4,5-tetrazinane?
The IUPAC name of 3,6-dimethyl-1,2,4,5-tetrazinane (CID 53487952) is 3,6-dimethyl-1,2,4,5-tetrazinane.
What is the SMILES notation for 3,6-dimethyl-1,2,4,5-tetrazinane?
The canonical SMILES for 3,6-dimethyl-1,2,4,5-tetrazinane is CC1NNC(C)NN1.
What is the InChIKey of 3,6-dimethyl-1,2,4,5-tetrazinane?
The InChIKey is NKTSKXSUDLXBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4/c1-3-5-7-4(2)8-6-3/h3-8H,1-2H3.
What are the key properties of 3,6-dimethyl-1,2,4,5-tetrazinane?
3,6-dimethyl-1,2,4,5-tetrazinane has a molecular weight of 116.17 g/mol, XLogP of -1.12, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,2,4,5-tetrazinane is sourced from PubChem (CID 53487952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).