(4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride

C7H16Cl2N2 — CID 155978102

IUPAC(4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride
SMILESC1C[C@@H]2NCCN[C@@H]2C1.Cl.Cl
InChIInChI=1S/C7H14N2.2ClH/c1-2-6-7(3-1)9-5-4-8-6;;/h6-9H,1-5H2;2*1H/t6-,7+;;
InChIKeyCREVPTBUTYLKDI-DTQHMAPFSA-N
MW199.12 g/mol
LogP0.94
Rot. Bonds

About (4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride

(4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride (PubChem CID 155978102) has the molecular formula C7H16Cl2N2 and a molecular weight of 199.12 g/mol. Its IUPAC name is (4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride.

Molecular Properties

Compound Name(4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride
PubChem CID155978102
Molecular FormulaC7H16Cl2N2
Molecular Weight199.12 g/mol
Exact Mass198.07
IUPAC Name(4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride
SMILESC1C[C@@H]2NCCN[C@@H]2C1.Cl.Cl
InChIInChI=1S/C7H14N2.2ClH/c1-2-6-7(3-1)9-5-4-8-6;;/h6-9H,1-5H2;2*1H/t6-,7+;;
InChIKeyCREVPTBUTYLKDI-DTQHMAPFSA-N
XLogP0.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride?
The IUPAC name of (4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride (CID 155978102) is (4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride.
What is the SMILES notation for (4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride?
The canonical SMILES for (4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride is C1C[C@@H]2NCCN[C@@H]2C1.Cl.Cl.
What is the InChIKey of (4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride?
The InChIKey is CREVPTBUTYLKDI-DTQHMAPFSA-N. The full InChI is InChI=1S/C7H14N2.2ClH/c1-2-6-7(3-1)9-5-4-8-6;;/h6-9H,1-5H2;2*1H/t6-,7+;;.
What are the key properties of (4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride?
(4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride has a molecular weight of 199.12 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyrazine;dihydrochloride is sourced from PubChem (CID 155978102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).