[7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol

C11H20N4O — CID 97405232

IUPAC[7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
SMILESCC(C)CCN1CCn2c(CO)nnc2C1
InChIInChI=1S/C11H20N4O/c1-9(2)3-4-14-5-6-15-10(7-14)12-13-11(15)8-16/h9,16H,3-8H2,1-2H3
InChIKeyOTDYVRGAVYPUST-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.63
Rot. Bonds4

About [7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol

[7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol (PubChem CID 97405232) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol.

Molecular Properties

Compound Name[7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
PubChem CID97405232
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
SMILESCC(C)CCN1CCn2c(CO)nnc2C1
InChIInChI=1S/C11H20N4O/c1-9(2)3-4-14-5-6-15-10(7-14)12-13-11(15)8-16/h9,16H,3-8H2,1-2H3
InChIKeyOTDYVRGAVYPUST-UHFFFAOYSA-N
XLogP0.63
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 53603902
1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 56780838
1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 56781806
2-[({5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)(methyl)amino]ethanol
CID 70710980
{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methanol
CID 66489697
N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine
CID 164636521
[6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
CID 90300120
(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanol
CID 64578039
1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol
CID 64578430
1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
CID 64578820
2-methyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]butan-1-ol
CID 64579254

Frequently Asked Questions

What is the IUPAC name of [7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
The IUPAC name of [7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol (CID 97405232) is [7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol.
What is the SMILES notation for [7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
The canonical SMILES for [7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol is CC(C)CCN1CCn2c(CO)nnc2C1.
What is the InChIKey of [7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
The InChIKey is OTDYVRGAVYPUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)3-4-14-5-6-15-10(7-14)12-13-11(15)8-16/h9,16H,3-8H2,1-2H3.
What are the key properties of [7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol?
[7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol has a molecular weight of 224.31 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol is sourced from PubChem (CID 97405232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).