3,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine

C9H14N2 — CID 71437658

IUPAC3,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine
SMILESCC1=C2NCC(C)N=C2CC1
InChIInChI=1S/C9H14N2/c1-6-3-4-8-9(6)10-5-7(2)11-8/h7,10H,3-5H2,1-2H3
InChIKeySOVXDIYOTCZBAP-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.49
Rot. Bonds

About 3,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine

3,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine (PubChem CID 71437658) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine.

Molecular Properties

Compound Name3,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine
PubChem CID71437658
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine
SMILESCC1=C2NCC(C)N=C2CC1
InChIInChI=1S/C9H14N2/c1-6-3-4-8-9(6)10-5-7(2)11-8/h7,10H,3-5H2,1-2H3
InChIKeySOVXDIYOTCZBAP-UHFFFAOYSA-N
XLogP1.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine?
The IUPAC name of 3,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine (CID 71437658) is 3,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine.
What is the SMILES notation for 3,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine?
The canonical SMILES for 3,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine is CC1=C2NCC(C)N=C2CC1.
What is the InChIKey of 3,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine?
The InChIKey is SOVXDIYOTCZBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6-3-4-8-9(6)10-5-7(2)11-8/h7,10H,3-5H2,1-2H3.
What are the key properties of 3,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine?
3,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine has a molecular weight of 150.22 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine is sourced from PubChem (CID 71437658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).