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

C14H18N6O — CID 163316819

IUPAC7-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCc1cc(-c2nnc3n2C(C)C(=O)N(C2CC2)C3)n(C)n1
InChIInChI=1S/C14H18N6O/c1-8-6-11(18(3)17-8)13-16-15-12-7-19(10-4-5-10)14(21)9(2)20(12)13/h6,9-10H,4-5,7H2,1-3H3
InChIKeyHGESLDAFOXSAAJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.05
Rot. Bonds2

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

7-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 163316819) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 7-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name7-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID163316819
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name7-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCc1cc(-c2nnc3n2C(C)C(=O)N(C2CC2)C3)n(C)n1
InChIInChI=1S/C14H18N6O/c1-8-6-11(18(3)17-8)13-16-15-12-7-19(10-4-5-10)14(21)9(2)20(12)13/h6,9-10H,4-5,7H2,1-3H3
InChIKeyHGESLDAFOXSAAJ-UHFFFAOYSA-N
XLogP1.05
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of 7-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 163316819) is 7-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for 7-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for 7-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is Cc1cc(-c2nnc3n2C(C)C(=O)N(C2CC2)C3)n(C)n1.
What is the InChIKey of 7-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is HGESLDAFOXSAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-8-6-11(18(3)17-8)13-16-15-12-7-19(10-4-5-10)14(21)9(2)20(12)13/h6,9-10H,4-5,7H2,1-3H3.
What are the key properties of 7-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
7-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 286.34 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-5-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 163316819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).