2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine

C11H16N2 — CID 20689236

IUPAC2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCc1nc2c(c(C)c1C)CNCC2
InChIInChI=1S/C11H16N2/c1-7-8(2)10-6-12-5-4-11(10)13-9(7)3/h12H,4-6H2,1-3H3
InChIKeyMGSVQSCQSGBHKU-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.65
Rot. Bonds

About 2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine

2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 20689236) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID20689236
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCc1nc2c(c(C)c1C)CNCC2
InChIInChI=1S/C11H16N2/c1-7-8(2)10-6-12-5-4-11(10)13-9(7)3/h12H,4-6H2,1-3H3
InChIKeyMGSVQSCQSGBHKU-UHFFFAOYSA-N
XLogP1.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 20689236) is 2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine is Cc1nc2c(c(C)c1C)CNCC2.
What is the InChIKey of 2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is MGSVQSCQSGBHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-7-8(2)10-6-12-5-4-11(10)13-9(7)3/h12H,4-6H2,1-3H3.
What are the key properties of 2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine?
2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 176.26 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 20689236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).