3-methyl-1-(5-methylpyrazin-2-yl)butan-1-ol

C10H16N2O — CID 580130

IUPAC3-methyl-1-(5-methylpyrazin-2-yl)butan-1-ol
SMILESCc1cnc(C(O)CC(C)C)cn1
InChIInChI=1S/C10H16N2O/c1-7(2)4-10(13)9-6-11-8(3)5-12-9/h5-7,10,13H,4H2,1-3H3
InChIKeyDZQLSOVYXONMOT-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.86
Rot. Bonds3

About 3-methyl-1-(5-methylpyrazin-2-yl)butan-1-ol

3-methyl-1-(5-methylpyrazin-2-yl)butan-1-ol (PubChem CID 580130) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methyl-1-(5-methylpyrazin-2-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(5-methylpyrazin-2-yl)butan-1-ol
PubChem CID580130
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-methyl-1-(5-methylpyrazin-2-yl)butan-1-ol
SMILESCc1cnc(C(O)CC(C)C)cn1
InChIInChI=1S/C10H16N2O/c1-7(2)4-10(13)9-6-11-8(3)5-12-9/h5-7,10,13H,4H2,1-3H3
InChIKeyDZQLSOVYXONMOT-UHFFFAOYSA-N
XLogP1.86
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Hydroxy-1-methylethyl)-5-(1-methylethyl)pyrazine
CID 11535672
1-(Pyrazin-2-yl)ethan-1-ol
CID 573013
(1R)-1-(pyrazin-2-yl)ethan-1-ol
CID 15032166
2-Hydroxymethyl-3-(3-methylbutyl)-5-methylpyrazine
CID 60145016
(1S)-1-(pyrazin-2-yl)ethan-1-ol
CID 51656285
1-Methoxy-isobutyl pyrazine
CID 54145268
2,5-Bis-(tetrahydroxybutyl)-pyrazine
CID 87151883
1,1,1-Trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
CID 68733028
4,4,4-Trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
CID 68733030
6,6,6-Trifluoro-5-methyl-2-(5-propan-2-ylpyrazin-2-yl)hexan-2-ol
CID 155017901
1-(3-Fluoropyrazin-2-yl)propan-1-ol
CID 156558715
(1S)-4,4-dimethyl-1-[6-(trifluoromethyl)pyrazin-2-yl]pentan-1-ol;sulfane
CID 157696064

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methylpyrazin-2-yl)butan-1-ol?
The IUPAC name of 3-methyl-1-(5-methylpyrazin-2-yl)butan-1-ol (CID 580130) is 3-methyl-1-(5-methylpyrazin-2-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-1-(5-methylpyrazin-2-yl)butan-1-ol?
The canonical SMILES for 3-methyl-1-(5-methylpyrazin-2-yl)butan-1-ol is Cc1cnc(C(O)CC(C)C)cn1.
What is the InChIKey of 3-methyl-1-(5-methylpyrazin-2-yl)butan-1-ol?
The InChIKey is DZQLSOVYXONMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)4-10(13)9-6-11-8(3)5-12-9/h5-7,10,13H,4H2,1-3H3.
What are the key properties of 3-methyl-1-(5-methylpyrazin-2-yl)butan-1-ol?
3-methyl-1-(5-methylpyrazin-2-yl)butan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methylpyrazin-2-yl)butan-1-ol is sourced from PubChem (CID 580130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).