4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide

C13H13N7O — CID 135616084

IUPAC4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide
SMILESCc1nn2c(N)c(/C(N)=N/O)nnc2c1-c1ccccc1
InChIInChI=1S/C13H13N7O/c1-7-9(8-5-3-2-4-6-8)13-17-16-10(11(14)19-21)12(15)20(13)18-7/h2-6,21H,15H2,1H3,(H2,14,19)
InChIKeyIQRVCORFCMYYNW-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.78
Rot. Bonds2

About 4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide

4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide (PubChem CID 135616084) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is 4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide
PubChem CID135616084
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide
SMILESCc1nn2c(N)c(/C(N)=N/O)nnc2c1-c1ccccc1
InChIInChI=1S/C13H13N7O/c1-7-9(8-5-3-2-4-6-8)13-17-16-10(11(14)19-21)12(15)20(13)18-7/h2-6,21H,15H2,1H3,(H2,14,19)
InChIKeyIQRVCORFCMYYNW-UHFFFAOYSA-N
XLogP0.78
TPSA127.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

Analyze 4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide?
The IUPAC name of 4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide (CID 135616084) is 4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide?
The canonical SMILES for 4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide is Cc1nn2c(N)c(/C(N)=N/O)nnc2c1-c1ccccc1.
What is the InChIKey of 4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide?
The InChIKey is IQRVCORFCMYYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-7-9(8-5-3-2-4-6-8)13-17-16-10(11(14)19-21)12(15)20(13)18-7/h2-6,21H,15H2,1H3,(H2,14,19).
What are the key properties of 4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide?
4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide has a molecular weight of 283.30 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-hydroxy-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboximidamide is sourced from PubChem (CID 135616084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).