3-(3-methylpyrazin-2-yl)butan-2-ol

C9H14N2O — CID 83064471

IUPAC3-(3-methylpyrazin-2-yl)butan-2-ol
SMILESCc1nccnc1C(C)C(C)O
InChIInChI=1S/C9H14N2O/c1-6(8(3)12)9-7(2)10-4-5-11-9/h4-6,8,12H,1-3H3
InChIKeyDQGGORWZTGJLHQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.27
Rot. Bonds2

About 3-(3-methylpyrazin-2-yl)butan-2-ol

3-(3-methylpyrazin-2-yl)butan-2-ol (PubChem CID 83064471) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(3-methylpyrazin-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-(3-methylpyrazin-2-yl)butan-2-ol
PubChem CID83064471
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-(3-methylpyrazin-2-yl)butan-2-ol
SMILESCc1nccnc1C(C)C(C)O
InChIInChI=1S/C9H14N2O/c1-6(8(3)12)9-7(2)10-4-5-11-9/h4-6,8,12H,1-3H3
InChIKeyDQGGORWZTGJLHQ-UHFFFAOYSA-N
XLogP1.27
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methylpyrazin-2-yl)ethan-1-ol
CID 1514204
2-[4-(3-Methylpyrazin-2-yl)piperidin-1-yl]cyclopentan-1-ol
CID 110090195
4-(3-Methylpyrazin-2-yl)butane-1,2,3-triol
CID 5319803
2-Methyl-1-pyrazin-2-ylbutan-2-ol
CID 312103
3-[3-(Trifluoromethyl)pyrazin-2-yl]cyclobutan-1-ol
CID 176218040
1,1,1-Trifluoro-3-(3-methylpyrazin-2-yl)propan-2-ol
CID 165631904
2-(Fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol
CID 177210094
1-Pyrazinyl-4-methyl-2-pentanol
CID 565113
(6,7-dihydro-5H-cyclopenta[b]pyrazin-5-yl)methanol
CID 45098281
(2S,3S)-4-(3-methylpyrazin-2-yl)butane-1,2,3-triol
CID 162852982
2,5-Pyrazinediethanol, 3-ethyl-
CID 9899098
2,2'-(3-Methylpyrazine-2,5-diyl)diethanol
CID 13368154

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazin-2-yl)butan-2-ol?
The IUPAC name of 3-(3-methylpyrazin-2-yl)butan-2-ol (CID 83064471) is 3-(3-methylpyrazin-2-yl)butan-2-ol.
What is the SMILES notation for 3-(3-methylpyrazin-2-yl)butan-2-ol?
The canonical SMILES for 3-(3-methylpyrazin-2-yl)butan-2-ol is Cc1nccnc1C(C)C(C)O.
What is the InChIKey of 3-(3-methylpyrazin-2-yl)butan-2-ol?
The InChIKey is DQGGORWZTGJLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(8(3)12)9-7(2)10-4-5-11-9/h4-6,8,12H,1-3H3.
What are the key properties of 3-(3-methylpyrazin-2-yl)butan-2-ol?
3-(3-methylpyrazin-2-yl)butan-2-ol has a molecular weight of 166.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazin-2-yl)butan-2-ol is sourced from PubChem (CID 83064471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).