1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid

C12H12N6O3 — CID 104734629

IUPAC1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid
SMILESCc1cc2c(=O)n(CCn3cc(C(=O)O)nn3)ccn2n1
InChIInChI=1S/C12H12N6O3/c1-8-6-10-11(19)16(3-5-18(10)14-8)2-4-17-7-9(12(20)21)13-15-17/h3,5-7H,2,4H2,1H3,(H,20,21)
InChIKeyFNNOCWBENBUDSF-UHFFFAOYSA-N
MW288.27 g/mol
LogP-0.21
Rot. Bonds4

About 1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid

1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid (PubChem CID 104734629) has the molecular formula C12H12N6O3 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid
PubChem CID104734629
Molecular FormulaC12H12N6O3
Molecular Weight288.27 g/mol
Exact Mass288.10
IUPAC Name1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid
SMILESCc1cc2c(=O)n(CCn3cc(C(=O)O)nn3)ccn2n1
InChIInChI=1S/C12H12N6O3/c1-8-6-10-11(19)16(3-5-18(10)14-8)2-4-17-7-9(12(20)21)13-15-17/h3,5-7H,2,4H2,1H3,(H,20,21)
InChIKeyFNNOCWBENBUDSF-UHFFFAOYSA-N
XLogP-0.21
TPSA107.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734713
2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735472
3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile
CID 104734922
5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734854
2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735086
5-(2-aminopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734809
2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735453
1-[2-(5-iodo-6-oxopyrimidin-1-yl)ethyl]triazole-4-carboxylic acid
CID 66308003
5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735275
5-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446803
5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735171
1-[2-(2-ethylimidazol-1-yl)ethyl]triazole-4-carboxylic acid
CID 61347325

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid (CID 104734629) is 1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid is Cc1cc2c(=O)n(CCn3cc(C(=O)O)nn3)ccn2n1.
What is the InChIKey of 1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid?
The InChIKey is FNNOCWBENBUDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O3/c1-8-6-10-11(19)16(3-5-18(10)14-8)2-4-17-7-9(12(20)21)13-15-17/h3,5-7H,2,4H2,1H3,(H,20,21).
What are the key properties of 1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid?
1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid has a molecular weight of 288.27 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 104734629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).