2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine

C13H18N2O — CID 162235081

IUPAC2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine
SMILESC#C[C@@H](CC)Oc1cnc(C(C)(C)C)cn1
InChIInChI=1S/C13H18N2O/c1-6-10(7-2)16-12-9-14-11(8-15-12)13(3,4)5/h1,8-10H,7H2,2-5H3/t10-/m0/s1
InChIKeySKTSWSHAUWCUOF-JTQLQIEISA-N
MW218.30 g/mol
LogP2.56
Rot. Bonds3

About 2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine

2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine (PubChem CID 162235081) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine.

Molecular Properties

Compound Name2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine
PubChem CID162235081
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine
SMILESC#C[C@@H](CC)Oc1cnc(C(C)(C)C)cn1
InChIInChI=1S/C13H18N2O/c1-6-10(7-2)16-12-9-14-11(8-15-12)13(3,4)5/h1,8-10H,7H2,2-5H3/t10-/m0/s1
InChIKeySKTSWSHAUWCUOF-JTQLQIEISA-N
XLogP2.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5-[(3R)-hex-4-yn-3-yl]oxypyrazine
CID 161405508
2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine
CID 159165036
2-tert-butyl-5-(2-methoxyethoxy)pyrazine
CID 135302140
2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine
CID 161405503
(3S)-3-[(2-methylpropan-2-yl)oxy]pent-1-yne
CID 134890457
5-tert-butyl-N,N-diethylpyrazin-2-amine
CID 67967134
2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine
CID 142361503
2-tert-butyl-5-ethylsulfonylpyridine
CID 146657361
2,5-ditert-butylpyridine;propane
CID 158805083
3-butan-2-yloxypent-1-yne
CID 89195467
2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106231271
2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine
CID 143882562

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine?
The IUPAC name of 2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine (CID 162235081) is 2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine.
What is the SMILES notation for 2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine?
The canonical SMILES for 2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine is C#C[C@@H](CC)Oc1cnc(C(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine?
The InChIKey is SKTSWSHAUWCUOF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O/c1-6-10(7-2)16-12-9-14-11(8-15-12)13(3,4)5/h1,8-10H,7H2,2-5H3/t10-/m0/s1.
What are the key properties of 2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine?
2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine has a molecular weight of 218.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine is sourced from PubChem (CID 162235081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).