5-tert-butyl-N'-hydroxypyridine-3-carboximidamide

C10H15N3O — CID 122198369

IUPAC5-tert-butyl-N'-hydroxypyridine-3-carboximidamide
SMILESCC(C)(C)c1cncc(C(N)=NO)c1
InChIInChI=1S/C10H15N3O/c1-10(2,3)8-4-7(5-12-6-8)9(11)13-14/h4-6,14H,1-3H3,(H2,11,13)
InChIKeyKSRJJYQSPJDUHR-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.47
Rot. Bonds1

About 5-tert-butyl-N'-hydroxypyridine-3-carboximidamide

5-tert-butyl-N'-hydroxypyridine-3-carboximidamide (PubChem CID 122198369) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-tert-butyl-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name5-tert-butyl-N'-hydroxypyridine-3-carboximidamide
PubChem CID122198369
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-tert-butyl-N'-hydroxypyridine-3-carboximidamide
SMILESCC(C)(C)c1cncc(C(N)=NO)c1
InChIInChI=1S/C10H15N3O/c1-10(2,3)8-4-7(5-12-6-8)9(11)13-14/h4-6,14H,1-3H3,(H2,11,13)
InChIKeyKSRJJYQSPJDUHR-UHFFFAOYSA-N
XLogP1.47
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-tert-butyl-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 5-tert-butyl-N'-hydroxypyridine-3-carboximidamide (CID 122198369) is 5-tert-butyl-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 5-tert-butyl-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 5-tert-butyl-N'-hydroxypyridine-3-carboximidamide is CC(C)(C)c1cncc(C(N)=NO)c1.
What is the InChIKey of 5-tert-butyl-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is KSRJJYQSPJDUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-10(2,3)8-4-7(5-12-6-8)9(11)13-14/h4-6,14H,1-3H3,(H2,11,13).
What are the key properties of 5-tert-butyl-N'-hydroxypyridine-3-carboximidamide?
5-tert-butyl-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 193.25 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 122198369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).