4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine

C9H14N2 — CID 45099393

IUPAC4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine
SMILESCC1CC=C2C1=NCCN2C
InChIInChI=1S/C9H14N2/c1-7-3-4-8-9(7)10-5-6-11(8)2/h4,7H,3,5-6H2,1-2H3
InChIKeyMDGWZVYXCHHPDK-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.30
Rot. Bonds

About 4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine

4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine (PubChem CID 45099393) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine.

Molecular Properties

Compound Name4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine
PubChem CID45099393
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine
SMILESCC1CC=C2C1=NCCN2C
InChIInChI=1S/C9H14N2/c1-7-3-4-8-9(7)10-5-6-11(8)2/h4,7H,3,5-6H2,1-2H3
InChIKeyMDGWZVYXCHHPDK-UHFFFAOYSA-N
XLogP1.30
TPSA15.60 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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine?
The IUPAC name of 4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine (CID 45099393) is 4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine.
What is the SMILES notation for 4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine?
The canonical SMILES for 4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine is CC1CC=C2C1=NCCN2C.
What is the InChIKey of 4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine?
The InChIKey is MDGWZVYXCHHPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-3-4-8-9(7)10-5-6-11(8)2/h4,7H,3,5-6H2,1-2H3.
What are the key properties of 4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine?
4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine has a molecular weight of 150.22 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine is sourced from PubChem (CID 45099393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).