5,6-dibutyl-1,2-dimethyltriazine

C13H25N3 — CID 175534881

IUPAC5,6-dibutyl-1,2-dimethyltriazine
SMILESCCCCC1=C(CCCC)N(C)N(C)N=C1
InChIInChI=1S/C13H25N3/c1-5-7-9-12-11-14-16(4)15(3)13(12)10-8-6-2/h11H,5-10H2,1-4H3
InChIKeyWGWRLRZFGUBDHT-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.40
Rot. Bonds6

About 5,6-dibutyl-1,2-dimethyltriazine

5,6-dibutyl-1,2-dimethyltriazine (PubChem CID 175534881) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 5,6-dibutyl-1,2-dimethyltriazine.

Molecular Properties

Compound Name5,6-dibutyl-1,2-dimethyltriazine
PubChem CID175534881
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name5,6-dibutyl-1,2-dimethyltriazine
SMILESCCCCC1=C(CCCC)N(C)N(C)N=C1
InChIInChI=1S/C13H25N3/c1-5-7-9-12-11-14-16(4)15(3)13(12)10-8-6-2/h11H,5-10H2,1-4H3
InChIKeyWGWRLRZFGUBDHT-UHFFFAOYSA-N
XLogP3.40
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibutyl-1,2-dimethyltriazine?
The IUPAC name of 5,6-dibutyl-1,2-dimethyltriazine (CID 175534881) is 5,6-dibutyl-1,2-dimethyltriazine.
What is the SMILES notation for 5,6-dibutyl-1,2-dimethyltriazine?
The canonical SMILES for 5,6-dibutyl-1,2-dimethyltriazine is CCCCC1=C(CCCC)N(C)N(C)N=C1.
What is the InChIKey of 5,6-dibutyl-1,2-dimethyltriazine?
The InChIKey is WGWRLRZFGUBDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-7-9-12-11-14-16(4)15(3)13(12)10-8-6-2/h11H,5-10H2,1-4H3.
What are the key properties of 5,6-dibutyl-1,2-dimethyltriazine?
5,6-dibutyl-1,2-dimethyltriazine has a molecular weight of 223.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibutyl-1,2-dimethyltriazine is sourced from PubChem (CID 175534881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).