N'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide

C13H17N5O — CID 76916263

IUPACN'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C13H17N5O/c1-7-5-6-11(12(14)17-19)13(15-7)18-10(4)8(2)9(3)16-18/h5-6,19H,1-4H3,(H2,14,17)
InChIKeyPFYWGJKQLMAMCI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.60
Rot. Bonds2

About N'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide

N'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide (PubChem CID 76916263) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide
PubChem CID76916263
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C13H17N5O/c1-7-5-6-11(12(14)17-19)13(15-7)18-10(4)8(2)9(3)16-18/h5-6,19H,1-4H3,(H2,14,17)
InChIKeyPFYWGJKQLMAMCI-UHFFFAOYSA-N
XLogP1.60
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide (CID 76916263) is N'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide is Cc1ccc(C(N)=NO)c(-n2nc(C)c(C)c2C)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide?
The InChIKey is PFYWGJKQLMAMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-7-5-6-11(12(14)17-19)13(15-7)18-10(4)8(2)9(3)16-18/h5-6,19H,1-4H3,(H2,14,17).
What are the key properties of N'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide?
N'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide has a molecular weight of 259.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 76916263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).