3-ethyl-1,6,8-trimethyl-2,7-naphthyridine

C13H16N2 — CID 13405503

IUPAC3-ethyl-1,6,8-trimethyl-2,7-naphthyridine
SMILESCCc1cc2cc(C)nc(C)c2c(C)n1
InChIInChI=1S/C13H16N2/c1-5-12-7-11-6-8(2)14-9(3)13(11)10(4)15-12/h6-7H,5H2,1-4H3
InChIKeyKBGUDUVFEBVPEB-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.12
Rot. Bonds1

About 3-ethyl-1,6,8-trimethyl-2,7-naphthyridine

3-ethyl-1,6,8-trimethyl-2,7-naphthyridine (PubChem CID 13405503) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-ethyl-1,6,8-trimethyl-2,7-naphthyridine.

Molecular Properties

Compound Name3-ethyl-1,6,8-trimethyl-2,7-naphthyridine
PubChem CID13405503
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-ethyl-1,6,8-trimethyl-2,7-naphthyridine
SMILESCCc1cc2cc(C)nc(C)c2c(C)n1
InChIInChI=1S/C13H16N2/c1-5-12-7-11-6-8(2)14-9(3)13(11)10(4)15-12/h6-7H,5H2,1-4H3
InChIKeyKBGUDUVFEBVPEB-UHFFFAOYSA-N
XLogP3.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,6,8-trimethyl-2,7-naphthyridine?
The IUPAC name of 3-ethyl-1,6,8-trimethyl-2,7-naphthyridine (CID 13405503) is 3-ethyl-1,6,8-trimethyl-2,7-naphthyridine.
What is the SMILES notation for 3-ethyl-1,6,8-trimethyl-2,7-naphthyridine?
The canonical SMILES for 3-ethyl-1,6,8-trimethyl-2,7-naphthyridine is CCc1cc2cc(C)nc(C)c2c(C)n1.
What is the InChIKey of 3-ethyl-1,6,8-trimethyl-2,7-naphthyridine?
The InChIKey is KBGUDUVFEBVPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-5-12-7-11-6-8(2)14-9(3)13(11)10(4)15-12/h6-7H,5H2,1-4H3.
What are the key properties of 3-ethyl-1,6,8-trimethyl-2,7-naphthyridine?
3-ethyl-1,6,8-trimethyl-2,7-naphthyridine has a molecular weight of 200.28 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,6,8-trimethyl-2,7-naphthyridine is sourced from PubChem (CID 13405503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).