2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol

C12H22N4O — CID 64579638

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CN1CCn2cnnc2C1
InChIInChI=1S/C12H22N4O/c1-3-12(4-2,9-17)8-15-5-6-16-10-13-14-11(16)7-15/h10,17H,3-9H2,1-2H3
InChIKeyDVQYNJFTYMUNKW-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.89
Rot. Bonds5

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol (PubChem CID 64579638) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol
PubChem CID64579638
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CN1CCn2cnnc2C1
InChIInChI=1S/C12H22N4O/c1-3-12(4-2,9-17)8-15-5-6-16-10-13-14-11(16)7-15/h10,17H,3-9H2,1-2H3
InChIKeyDVQYNJFTYMUNKW-UHFFFAOYSA-N
XLogP0.89
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol with MolForge

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Related Compounds

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine
CID 64580209
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64826630
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-one
CID 64577447
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N,2-dimethylpentan-1-amine
CID 64578275
2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol
CID 64826452
methyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-hydroxy-2-methylpropanoate
CID 64577079
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 64579635
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-2-amine
CID 64576855
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66453247
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,4,4-trimethylpentan-3-amine
CID 64579251
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol
CID 64576094
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine
CID 64576603

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol (CID 64579638) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol is CCC(CC)(CO)CN1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol?
The InChIKey is DVQYNJFTYMUNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-12(4-2,9-17)8-15-5-6-16-10-13-14-11(16)7-15/h10,17H,3-9H2,1-2H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol is sourced from PubChem (CID 64579638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).