2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine

C12H19N3 — CID 170175303

IUPAC2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine
SMILESCC(C)c1cncc(N2CC[C@@H](C)C2)n1
InChIInChI=1S/C12H19N3/c1-9(2)11-6-13-7-12(14-11)15-5-4-10(3)8-15/h6-7,9-10H,4-5,8H2,1-3H3/t10-/m1/s1
InChIKeyDTLBHVCXUWYYGK-SNVBAGLBSA-N
MW205.31 g/mol
LogP2.45
Rot. Bonds2

About 2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine

2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine (PubChem CID 170175303) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine
PubChem CID170175303
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine
SMILESCC(C)c1cncc(N2CC[C@@H](C)C2)n1
InChIInChI=1S/C12H19N3/c1-9(2)11-6-13-7-12(14-11)15-5-4-10(3)8-15/h6-7,9-10H,4-5,8H2,1-3H3/t10-/m1/s1
InChIKeyDTLBHVCXUWYYGK-SNVBAGLBSA-N
XLogP2.45
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine?
The IUPAC name of 2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine (CID 170175303) is 2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine.
What is the SMILES notation for 2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine?
The canonical SMILES for 2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine is CC(C)c1cncc(N2CC[C@@H](C)C2)n1.
What is the InChIKey of 2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine?
The InChIKey is DTLBHVCXUWYYGK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3/c1-9(2)11-6-13-7-12(14-11)15-5-4-10(3)8-15/h6-7,9-10H,4-5,8H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine?
2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine has a molecular weight of 205.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylpyrrolidin-1-yl]-6-propan-2-ylpyrazine is sourced from PubChem (CID 170175303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).