2-amino-2-(1-methylpyrrolo[1,2-a]pyrazin-8-yl)ethanol

C10H13N3O — CID 82403378

IUPAC2-amino-2-(1-methylpyrrolo[1,2-a]pyrazin-8-yl)ethanol
SMILESCc1nccn2ccc(C(N)CO)c12
InChIInChI=1S/C10H13N3O/c1-7-10-8(9(11)6-14)2-4-13(10)5-3-12-7/h2-5,9,14H,6,11H2,1H3
InChIKeyCPSHLOZUPIGJEE-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.63
Rot. Bonds2

About 2-amino-2-(1-methylpyrrolo[1,2-a]pyrazin-8-yl)ethanol

2-amino-2-(1-methylpyrrolo[1,2-a]pyrazin-8-yl)ethanol (PubChem CID 82403378) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrrolo[1,2-a]pyrazin-8-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrrolo[1,2-a]pyrazin-8-yl)ethanol
PubChem CID82403378
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-amino-2-(1-methylpyrrolo[1,2-a]pyrazin-8-yl)ethanol
SMILESCc1nccn2ccc(C(N)CO)c12
InChIInChI=1S/C10H13N3O/c1-7-10-8(9(11)6-14)2-4-13(10)5-3-12-7/h2-5,9,14H,6,11H2,1H3
InChIKeyCPSHLOZUPIGJEE-UHFFFAOYSA-N
XLogP0.63
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrrolo[1,2-a]pyrazin-8-yl)ethanol?
The IUPAC name of 2-amino-2-(1-methylpyrrolo[1,2-a]pyrazin-8-yl)ethanol (CID 82403378) is 2-amino-2-(1-methylpyrrolo[1,2-a]pyrazin-8-yl)ethanol.
What is the SMILES notation for 2-amino-2-(1-methylpyrrolo[1,2-a]pyrazin-8-yl)ethanol?
The canonical SMILES for 2-amino-2-(1-methylpyrrolo[1,2-a]pyrazin-8-yl)ethanol is Cc1nccn2ccc(C(N)CO)c12.
What is the InChIKey of 2-amino-2-(1-methylpyrrolo[1,2-a]pyrazin-8-yl)ethanol?
The InChIKey is CPSHLOZUPIGJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-10-8(9(11)6-14)2-4-13(10)5-3-12-7/h2-5,9,14H,6,11H2,1H3.
What are the key properties of 2-amino-2-(1-methylpyrrolo[1,2-a]pyrazin-8-yl)ethanol?
2-amino-2-(1-methylpyrrolo[1,2-a]pyrazin-8-yl)ethanol has a molecular weight of 191.23 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpyrrolo[1,2-a]pyrazin-8-yl)ethanol is sourced from PubChem (CID 82403378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).