7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C12H16N6O — CID 138384192

IUPAC7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCN1CCn2c(nnc2-c2ccn(CC)n2)C1=O
InChIInChI=1S/C12H16N6O/c1-3-16-7-8-18-10(13-14-11(18)12(16)19)9-5-6-17(4-2)15-9/h5-6H,3-4,7-8H2,1-2H3
InChIKeyLSRVLTSEPBHPLJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.64
Rot. Bonds3

About 7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one

7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 138384192) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID138384192
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCN1CCn2c(nnc2-c2ccn(CC)n2)C1=O
InChIInChI=1S/C12H16N6O/c1-3-16-7-8-18-10(13-14-11(18)12(16)19)9-5-6-17(4-2)15-9/h5-6H,3-4,7-8H2,1-2H3
InChIKeyLSRVLTSEPBHPLJ-UHFFFAOYSA-N
XLogP0.64
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-ethyl-3-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 157012270
7-ethyl-3-(5-methyl-1,3-oxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 157017387
7-ethyl-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 157017965
7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 138378075
7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 157019961
1-ethyl-3-(1-methylpyrazol-3-yl)pyrazole
CID 175388618
4-(2,6-dimethoxyphenyl)-5-(1-ethylpyrazol-3-yl)-1,2,4-triazole-3-carboxylic acid
CID 175075529
1-ethyl-3-methylpyrazole
CID 12002774
2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide
CID 75528597
7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 75528580
1-(1-ethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 138806888
3-(1-ethylpyrazol-3-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 7172342

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 138384192) is 7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CCN1CCn2c(nnc2-c2ccn(CC)n2)C1=O.
What is the InChIKey of 7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is LSRVLTSEPBHPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-3-16-7-8-18-10(13-14-11(18)12(16)19)9-5-6-17(4-2)15-9/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 260.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 138384192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).