N'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide

C12H14N8O — CID 136675875

IUPACN'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide
SMILESCC(C)c1cc2c(-n3cnc(/C(N)=N/O)n3)nccn2n1
InChIInChI=1S/C12H14N8O/c1-7(2)8-5-9-12(14-3-4-19(9)16-8)20-6-15-11(17-20)10(13)18-21/h3-7,21H,1-2H3,(H2,13,18)
InChIKeyWRHSHURGXFIVTM-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.53
Rot. Bonds3

About N'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide

N'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide (PubChem CID 136675875) has the molecular formula C12H14N8O and a molecular weight of 286.30 g/mol. Its IUPAC name is N'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide
PubChem CID136675875
Molecular FormulaC12H14N8O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide
SMILESCC(C)c1cc2c(-n3cnc(/C(N)=N/O)n3)nccn2n1
InChIInChI=1S/C12H14N8O/c1-7(2)8-5-9-12(14-3-4-19(9)16-8)20-6-15-11(17-20)10(13)18-21/h3-7,21H,1-2H3,(H2,13,18)
InChIKeyWRHSHURGXFIVTM-UHFFFAOYSA-N
XLogP0.53
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide
CID 104733768
4-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazine
CID 104734381
[1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]methanamine
CID 104734304
[1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol
CID 104733050
1-[1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanol
CID 106837325
N'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide
CID 136971745
2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide
CID 104730960
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea
CID 104732037
1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile
CID 104733750
1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile
CID 114653453
4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine
CID 104733828
2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid
CID 104729669

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide (CID 136675875) is N'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide is CC(C)c1cc2c(-n3cnc(/C(N)=N/O)n3)nccn2n1.
What is the InChIKey of N'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide?
The InChIKey is WRHSHURGXFIVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8O/c1-7(2)8-5-9-12(14-3-4-19(9)16-8)20-6-15-11(17-20)10(13)18-21/h3-7,21H,1-2H3,(H2,13,18).
What are the key properties of N'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide?
N'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide has a molecular weight of 286.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide is sourced from PubChem (CID 136675875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).