3,7-dimethyl-1-propan-2-yloxypyrrolo[1,2-a]pyrazine

C12H16N2O — CID 21350143

IUPAC3,7-dimethyl-1-propan-2-yloxypyrrolo[1,2-a]pyrazine
SMILESCc1cc2c(OC(C)C)nc(C)cn2c1
InChIInChI=1S/C12H16N2O/c1-8(2)15-12-11-5-9(3)6-14(11)7-10(4)13-12/h5-8H,1-4H3
InChIKeyDDBFKQXBYCYPQK-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.74
Rot. Bonds2

About 3,7-dimethyl-1-propan-2-yloxypyrrolo[1,2-a]pyrazine

3,7-dimethyl-1-propan-2-yloxypyrrolo[1,2-a]pyrazine (PubChem CID 21350143) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3,7-dimethyl-1-propan-2-yloxypyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3,7-dimethyl-1-propan-2-yloxypyrrolo[1,2-a]pyrazine
PubChem CID21350143
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3,7-dimethyl-1-propan-2-yloxypyrrolo[1,2-a]pyrazine
SMILESCc1cc2c(OC(C)C)nc(C)cn2c1
InChIInChI=1S/C12H16N2O/c1-8(2)15-12-11-5-9(3)6-14(11)7-10(4)13-12/h5-8H,1-4H3
InChIKeyDDBFKQXBYCYPQK-UHFFFAOYSA-N
XLogP2.74
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-propan-2-yloxypyrrolo[1,2-a]pyrazine?
The IUPAC name of 3,7-dimethyl-1-propan-2-yloxypyrrolo[1,2-a]pyrazine (CID 21350143) is 3,7-dimethyl-1-propan-2-yloxypyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3,7-dimethyl-1-propan-2-yloxypyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3,7-dimethyl-1-propan-2-yloxypyrrolo[1,2-a]pyrazine is Cc1cc2c(OC(C)C)nc(C)cn2c1.
What is the InChIKey of 3,7-dimethyl-1-propan-2-yloxypyrrolo[1,2-a]pyrazine?
The InChIKey is DDBFKQXBYCYPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)15-12-11-5-9(3)6-14(11)7-10(4)13-12/h5-8H,1-4H3.
What are the key properties of 3,7-dimethyl-1-propan-2-yloxypyrrolo[1,2-a]pyrazine?
3,7-dimethyl-1-propan-2-yloxypyrrolo[1,2-a]pyrazine has a molecular weight of 204.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-propan-2-yloxypyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 21350143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).