5-[(E)-but-2-enoxy]pyrazin-2-amine

C8H11N3O — CID 80664071

IUPAC5-[(E)-but-2-enoxy]pyrazin-2-amine
SMILESC/C=C/COc1cnc(N)cn1
InChIInChI=1S/C8H11N3O/c1-2-3-4-12-8-6-10-7(9)5-11-8/h2-3,5-6H,4H2,1H3,(H2,9,10)/b3-2+
InChIKeyVBWPSQUEPSCETI-NSCUHMNNSA-N
MW165.20 g/mol
LogP1.01
Rot. Bonds3

About 5-[(E)-but-2-enoxy]pyrazin-2-amine

5-[(E)-but-2-enoxy]pyrazin-2-amine (PubChem CID 80664071) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-[(E)-but-2-enoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-[(E)-but-2-enoxy]pyrazin-2-amine
PubChem CID80664071
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-[(E)-but-2-enoxy]pyrazin-2-amine
SMILESC/C=C/COc1cnc(N)cn1
InChIInChI=1S/C8H11N3O/c1-2-3-4-12-8-6-10-7(9)5-11-8/h2-3,5-6H,4H2,1H3,(H2,9,10)/b3-2+
InChIKeyVBWPSQUEPSCETI-NSCUHMNNSA-N
XLogP1.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(E)-but-2-enoxy]pyrimidin-4-amine
CID 80872499
6-[(E)-but-2-enoxy]-2-methylpyrimidin-4-amine
CID 80872967
6-but-2-enoxypyridine-3-carbonitrile
CID 76938235
2-(5-aminopyrazin-2-yl)oxyethanol;hydrochloride
CID 162341573
6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine
CID 112559904
5-(2-ethylphenoxy)pyrazin-2-amine
CID 80663708
5-pentan-2-yloxypyrazin-2-amine
CID 102988499
(2-but-2-enoxyquinolin-4-yl)methanamine
CID 76938383
6-[(E)-but-2-enoxy]-5-methylpyrimidin-4-amine
CID 80872151
4-[(E)-but-2-enoxy]-2,6-dichloropyrimidine
CID 130569651
(6-but-2-enoxy-3-chloro-2-pyridinyl)methanamine
CID 76938382
N-[(6-but-2-enoxy-3-pyridinyl)methyl]cyclopropanamine
CID 76938434

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-2-enoxy]pyrazin-2-amine?
The IUPAC name of 5-[(E)-but-2-enoxy]pyrazin-2-amine (CID 80664071) is 5-[(E)-but-2-enoxy]pyrazin-2-amine.
What is the SMILES notation for 5-[(E)-but-2-enoxy]pyrazin-2-amine?
The canonical SMILES for 5-[(E)-but-2-enoxy]pyrazin-2-amine is C/C=C/COc1cnc(N)cn1.
What is the InChIKey of 5-[(E)-but-2-enoxy]pyrazin-2-amine?
The InChIKey is VBWPSQUEPSCETI-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-3-4-12-8-6-10-7(9)5-11-8/h2-3,5-6H,4H2,1H3,(H2,9,10)/b3-2+.
What are the key properties of 5-[(E)-but-2-enoxy]pyrazin-2-amine?
5-[(E)-but-2-enoxy]pyrazin-2-amine has a molecular weight of 165.20 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-enoxy]pyrazin-2-amine is sourced from PubChem (CID 80664071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).