2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C7H12N4O — CID 130623014

IUPAC2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCN1CCn2c(nn(C)c2=O)C1
InChIInChI=1S/C7H12N4O/c1-9-3-4-11-6(5-9)8-10(2)7(11)12/h3-5H2,1-2H3
InChIKeyJMIFZIVTHCDIQC-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.97
Rot. Bonds

About 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 130623014) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID130623014
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCN1CCn2c(nn(C)c2=O)C1
InChIInChI=1S/C7H12N4O/c1-9-3-4-11-6(5-9)8-10(2)7(11)12/h3-5H2,1-2H3
InChIKeyJMIFZIVTHCDIQC-UHFFFAOYSA-N
XLogP-0.97
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazin-3-one
CID 66274045
2-methyl-2H,3H,5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazin-3-one hydrochloride
CID 132344533
7-(2-Fluoroethyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 130619221
2-Methyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonyl fluoride
CID 154880480
4-Ethyl-2,5-dimethyl-1,2,4-triazol-3-one
CID 18737982
7-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ol
CID 89936292
7-Ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ol
CID 130613912
Ethane;2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 143847947
ethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 143847965
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
4-Ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium
CID 153405151

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 130623014) is 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CN1CCn2c(nn(C)c2=O)C1.
What is the InChIKey of 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is JMIFZIVTHCDIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-9-3-4-11-6(5-9)8-10(2)7(11)12/h3-5H2,1-2H3.
What are the key properties of 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 168.20 g/mol, XLogP of -0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 130623014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).