2-[(5-methylpyrazin-2-yl)methylamino]ethanol

C8H13N3O — CID 62846639

IUPAC2-[(5-methylpyrazin-2-yl)methylamino]ethanol
SMILESCc1cnc(CNCCO)cn1
InChIInChI=1S/C8H13N3O/c1-7-4-11-8(6-10-7)5-9-2-3-12/h4,6,9,12H,2-3,5H2,1H3
InChIKeyNOWCUCHDHPBUDW-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.13
Rot. Bonds4

About 2-[(5-methylpyrazin-2-yl)methylamino]ethanol

2-[(5-methylpyrazin-2-yl)methylamino]ethanol (PubChem CID 62846639) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methylamino]ethanol
PubChem CID62846639
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-[(5-methylpyrazin-2-yl)methylamino]ethanol
SMILESCc1cnc(CNCCO)cn1
InChIInChI=1S/C8H13N3O/c1-7-4-11-8(6-10-7)5-9-2-3-12/h4,6,9,12H,2-3,5H2,1H3
InChIKeyNOWCUCHDHPBUDW-UHFFFAOYSA-N
XLogP-0.13
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazin-2-yl)methylamino]ethanol?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methylamino]ethanol (CID 62846639) is 2-[(5-methylpyrazin-2-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methylamino]ethanol?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methylamino]ethanol is Cc1cnc(CNCCO)cn1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methylamino]ethanol?
The InChIKey is NOWCUCHDHPBUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7-4-11-8(6-10-7)5-9-2-3-12/h4,6,9,12H,2-3,5H2,1H3.
What are the key properties of 2-[(5-methylpyrazin-2-yl)methylamino]ethanol?
2-[(5-methylpyrazin-2-yl)methylamino]ethanol has a molecular weight of 167.21 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazin-2-yl)methylamino]ethanol is sourced from PubChem (CID 62846639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).