2,3-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine

C9H14N2 — CID 45099398

IUPAC2,3-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine
SMILESCC1=NC2CCCC2N=C1C
InChIInChI=1S/C9H14N2/c1-6-7(2)11-9-5-3-4-8(9)10-6/h8-9H,3-5H2,1-2H3
InChIKeyUEXCOFAQSFOTPJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.84
Rot. Bonds

About 2,3-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine

2,3-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine (PubChem CID 45099398) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,3-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine.

Molecular Properties

Compound Name2,3-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine
PubChem CID45099398
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2,3-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine
SMILESCC1=NC2CCCC2N=C1C
InChIInChI=1S/C9H14N2/c1-6-7(2)11-9-5-3-4-8(9)10-6/h8-9H,3-5H2,1-2H3
InChIKeyUEXCOFAQSFOTPJ-UHFFFAOYSA-N
XLogP1.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine?
The IUPAC name of 2,3-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine (CID 45099398) is 2,3-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine.
What is the SMILES notation for 2,3-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine?
The canonical SMILES for 2,3-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine is CC1=NC2CCCC2N=C1C.
What is the InChIKey of 2,3-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine?
The InChIKey is UEXCOFAQSFOTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6-7(2)11-9-5-3-4-8(9)10-6/h8-9H,3-5H2,1-2H3.
What are the key properties of 2,3-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine?
2,3-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine has a molecular weight of 150.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine is sourced from PubChem (CID 45099398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).