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

C9H14N2 — CID 98089195

IUPAC(7S)-4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine
SMILESC[C@H]1CC=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/t7-/m0/s1
InChIKeyMDGWZVYXCHHPDK-ZETCQYMHSA-N
MW150.22 g/mol
LogP1.30
Rot. Bonds

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

(7S)-4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine (PubChem CID 98089195) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (7S)-4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine.

Molecular Properties

Compound Name(7S)-4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine
PubChem CID98089195
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(7S)-4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine
SMILESC[C@H]1CC=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/t7-/m0/s1
InChIKeyMDGWZVYXCHHPDK-ZETCQYMHSA-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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Related Compounds

1,5-Dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine
CID 45099393
4,5-Dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine
CID 71437659
1-Ethyl-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazine
CID 90440727
(7R)-4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine
CID 98089194

Frequently Asked Questions

What is the IUPAC name of (7S)-4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine?
The IUPAC name of (7S)-4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine (CID 98089195) is (7S)-4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine.
What is the SMILES notation for (7S)-4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine?
The canonical SMILES for (7S)-4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine is C[C@H]1CC=C2C1=NCCN2C.
What is the InChIKey of (7S)-4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine?
The InChIKey is MDGWZVYXCHHPDK-ZETCQYMHSA-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/t7-/m0/s1.
What are the key properties of (7S)-4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine?
(7S)-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 (7S)-4,7-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine is sourced from PubChem (CID 98089195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).