N'-hydroxy-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide

C8H10N6O — CID 135448478

IUPACN'-hydroxy-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide
SMILESCc1cc2nnc(/C(N)=N/O)c(C)n2n1
InChIInChI=1S/C8H10N6O/c1-4-3-6-10-11-7(8(9)13-15)5(2)14(6)12-4/h3,15H,1-2H3,(H2,9,13)
InChIKeyXLGVFXXATZXOPU-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.16
Rot. Bonds1

About N'-hydroxy-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide

N'-hydroxy-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide (PubChem CID 135448478) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is N'-hydroxy-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide
PubChem CID135448478
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC NameN'-hydroxy-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide
SMILESCc1cc2nnc(/C(N)=N/O)c(C)n2n1
InChIInChI=1S/C8H10N6O/c1-4-3-6-10-11-7(8(9)13-15)5(2)14(6)12-4/h3,15H,1-2H3,(H2,9,13)
InChIKeyXLGVFXXATZXOPU-UHFFFAOYSA-N
XLogP-0.16
TPSA101.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide (CID 135448478) is N'-hydroxy-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide is Cc1cc2nnc(/C(N)=N/O)c(C)n2n1.
What is the InChIKey of N'-hydroxy-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide?
The InChIKey is XLGVFXXATZXOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-4-3-6-10-11-7(8(9)13-15)5(2)14(6)12-4/h3,15H,1-2H3,(H2,9,13).
What are the key properties of N'-hydroxy-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide?
N'-hydroxy-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide has a molecular weight of 206.21 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide is sourced from PubChem (CID 135448478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).