4,5,6-trimethyl-2,5-dihydrotriazine

C6H11N3 — CID 12674550

IUPAC4,5,6-trimethyl-2,5-dihydrotriazine
SMILESCC1=NNN=C(C)C1C
InChIInChI=1S/C6H11N3/c1-4-5(2)7-9-8-6(4)3/h4,9H,1-3H3
InChIKeyOXQOMQSRQOUROO-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.98
Rot. Bonds

About 4,5,6-trimethyl-2,5-dihydrotriazine

4,5,6-trimethyl-2,5-dihydrotriazine (PubChem CID 12674550) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 4,5,6-trimethyl-2,5-dihydrotriazine.

Molecular Properties

Compound Name4,5,6-trimethyl-2,5-dihydrotriazine
PubChem CID12674550
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name4,5,6-trimethyl-2,5-dihydrotriazine
SMILESCC1=NNN=C(C)C1C
InChIInChI=1S/C6H11N3/c1-4-5(2)7-9-8-6(4)3/h4,9H,1-3H3
InChIKeyOXQOMQSRQOUROO-UHFFFAOYSA-N
XLogP0.98
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2,5-dihydrotriazine?
The IUPAC name of 4,5,6-trimethyl-2,5-dihydrotriazine (CID 12674550) is 4,5,6-trimethyl-2,5-dihydrotriazine.
What is the SMILES notation for 4,5,6-trimethyl-2,5-dihydrotriazine?
The canonical SMILES for 4,5,6-trimethyl-2,5-dihydrotriazine is CC1=NNN=C(C)C1C.
What is the InChIKey of 4,5,6-trimethyl-2,5-dihydrotriazine?
The InChIKey is OXQOMQSRQOUROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-5(2)7-9-8-6(4)3/h4,9H,1-3H3.
What are the key properties of 4,5,6-trimethyl-2,5-dihydrotriazine?
4,5,6-trimethyl-2,5-dihydrotriazine has a molecular weight of 125.17 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2,5-dihydrotriazine is sourced from PubChem (CID 12674550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).