3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine

C11H17N3 — CID 81137779

IUPAC3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine
SMILESCCC1(C)CNc2ccc(C)nc2N1
InChIInChI=1S/C11H17N3/c1-4-11(3)7-12-9-6-5-8(2)13-10(9)14-11/h5-6,12H,4,7H2,1-3H3,(H,13,14)
InChIKeyCADCVXHZQMNTLM-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.40
Rot. Bonds1

About 3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine

3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine (PubChem CID 81137779) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine
PubChem CID81137779
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine
SMILESCCC1(C)CNc2ccc(C)nc2N1
InChIInChI=1S/C11H17N3/c1-4-11(3)7-12-9-6-5-8(2)13-10(9)14-11/h5-6,12H,4,7H2,1-3H3,(H,13,14)
InChIKeyCADCVXHZQMNTLM-UHFFFAOYSA-N
XLogP2.40
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine?
The IUPAC name of 3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine (CID 81137779) is 3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine?
The canonical SMILES for 3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine is CCC1(C)CNc2ccc(C)nc2N1.
What is the InChIKey of 3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine?
The InChIKey is CADCVXHZQMNTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-11(3)7-12-9-6-5-8(2)13-10(9)14-11/h5-6,12H,4,7H2,1-3H3,(H,13,14).
What are the key properties of 3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine?
3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine has a molecular weight of 191.28 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine is sourced from PubChem (CID 81137779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).