1,4-dimethylhexazine

C2H6N6 — CID 70483775

IUPAC1,4-dimethylhexazine
SMILESCN1N=NN(C)N=N1
InChIInChI=1S/C2H6N6/c1-7-3-5-8(2)6-4-7/h1-2H3
InChIKeyXZKAKEWQZOLPLW-UHFFFAOYSA-N
MW114.11 g/mol
LogP0.43
Rot. Bonds

About 1,4-dimethylhexazine

1,4-dimethylhexazine (PubChem CID 70483775) has the molecular formula C2H6N6 and a molecular weight of 114.11 g/mol. Its IUPAC name is 1,4-dimethylhexazine.

Molecular Properties

Compound Name1,4-dimethylhexazine
PubChem CID70483775
Molecular FormulaC2H6N6
Molecular Weight114.11 g/mol
Exact Mass114.07
IUPAC Name1,4-dimethylhexazine
SMILESCN1N=NN(C)N=N1
InChIInChI=1S/C2H6N6/c1-7-3-5-8(2)6-4-7/h1-2H3
InChIKeyXZKAKEWQZOLPLW-UHFFFAOYSA-N
XLogP0.43
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.11
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylhexazine?
The IUPAC name of 1,4-dimethylhexazine (CID 70483775) is 1,4-dimethylhexazine.
What is the SMILES notation for 1,4-dimethylhexazine?
The canonical SMILES for 1,4-dimethylhexazine is CN1N=NN(C)N=N1.
What is the InChIKey of 1,4-dimethylhexazine?
The InChIKey is XZKAKEWQZOLPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N6/c1-7-3-5-8(2)6-4-7/h1-2H3.
What are the key properties of 1,4-dimethylhexazine?
1,4-dimethylhexazine has a molecular weight of 114.11 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylhexazine is sourced from PubChem (CID 70483775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).