7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C8H14N4O — CID 126737425

IUPAC7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)N1CCn2c(n[nH]c2=O)C1
InChIInChI=1S/C8H14N4O/c1-6(2)11-3-4-12-7(5-11)9-10-8(12)13/h6H,3-5H2,1-2H3,(H,10,13)
InChIKeyOJFIUICBQMOPLY-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.20
Rot. Bonds1

About 7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 126737425) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID126737425
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)N1CCn2c(n[nH]c2=O)C1
InChIInChI=1S/C8H14N4O/c1-6(2)11-3-4-12-7(5-11)9-10-8(12)13/h6H,3-5H2,1-2H3,(H,10,13)
InChIKeyOJFIUICBQMOPLY-UHFFFAOYSA-N
XLogP-0.20
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one with MolForge

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Related Compounds

2H,3H,5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)piperazin-3-one
CID 55300589
7-(2-Fluoroethyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 130619221
5-(piperidin-1-ylmethyl)-4-propyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50958863
3-methyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 59693672
3-methyl-4-(1-methylpiperidin-4-yl)-1H-1,2,4-triazol-5-one
CID 68316635
7-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ol
CID 89936292
7-Tert-butyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 89949587
7-Ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ol
CID 130613912
ethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 143847965
ethane;3-methyl-4-(1-methylpiperidin-4-yl)-1H-1,2,4-triazol-5-one
CID 143873025
2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 147018723
7-methyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 148633432

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 126737425) is 7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(C)N1CCn2c(n[nH]c2=O)C1.
What is the InChIKey of 7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is OJFIUICBQMOPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(2)11-3-4-12-7(5-11)9-10-8(12)13/h6H,3-5H2,1-2H3,(H,10,13).
What are the key properties of 7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 182.23 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 126737425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).