2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol

C11H18N2O — CID 130506995

IUPAC2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol
SMILESCC(C(O)c1cnccn1)C(C)(C)C
InChIInChI=1S/C11H18N2O/c1-8(11(2,3)4)10(14)9-7-12-5-6-13-9/h5-8,10,14H,1-4H3
InChIKeyUHROKBZIIZSISS-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.19
Rot. Bonds2

About 2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol

2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol (PubChem CID 130506995) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol.

Molecular Properties

Compound Name2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol
PubChem CID130506995
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol
SMILESCC(C(O)c1cnccn1)C(C)(C)C
InChIInChI=1S/C11H18N2O/c1-8(11(2,3)4)10(14)9-7-12-5-6-13-9/h5-8,10,14H,1-4H3
InChIKeyUHROKBZIIZSISS-UHFFFAOYSA-N
XLogP2.19
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol
CID 127002734
3-bromo-1-pyrazin-2-ylpropane-1,2-diol
CID 171859387
2-pyrazin-2-ylpropanamide
CID 21413230
1-pyrazin-2-ylethylphosphane
CID 59073972
4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol
CID 171889622
3-propan-2-yloxy-1-pyrazin-2-ylpropan-1-ol
CID 114997368
4-pyrazin-2-ylbutane-1,1,1,4-tetrol
CID 87881315
3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-ol
CID 115001589
3-methoxy-1-pyrazin-2-ylpropan-1-ol
CID 62608017
(1R)-2-chloro-1-pyrazin-2-ylethanol
CID 55298108
(1S)-3-amino-1-pyrazin-2-ylpropan-1-ol
CID 96734232
2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol
CID 79064252

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol?
The IUPAC name of 2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol (CID 130506995) is 2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol.
What is the SMILES notation for 2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol?
The canonical SMILES for 2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol is CC(C(O)c1cnccn1)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol?
The InChIKey is UHROKBZIIZSISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(11(2,3)4)10(14)9-7-12-5-6-13-9/h5-8,10,14H,1-4H3.
What are the key properties of 2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol?
2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol is sourced from PubChem (CID 130506995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).