2-amino-N'-hydroxy-5-propan-2-ylpyridine-3-carboximidamide

C9H14N4O — CID 132590744

IUPAC2-amino-N'-hydroxy-5-propan-2-ylpyridine-3-carboximidamide
SMILESCC(C)c1cnc(N)c(/C(N)=N/O)c1
InChIInChI=1S/C9H14N4O/c1-5(2)6-3-7(9(11)13-14)8(10)12-4-6/h3-5,14H,1-2H3,(H2,10,12)(H2,11,13)
InChIKeyITCCMGFHHQDKIR-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.88
Rot. Bonds2

About 2-amino-N'-hydroxy-5-propan-2-ylpyridine-3-carboximidamide

2-amino-N'-hydroxy-5-propan-2-ylpyridine-3-carboximidamide (PubChem CID 132590744) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-amino-N'-hydroxy-5-propan-2-ylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-amino-N'-hydroxy-5-propan-2-ylpyridine-3-carboximidamide
PubChem CID132590744
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-amino-N'-hydroxy-5-propan-2-ylpyridine-3-carboximidamide
SMILESCC(C)c1cnc(N)c(/C(N)=N/O)c1
InChIInChI=1S/C9H14N4O/c1-5(2)6-3-7(9(11)13-14)8(10)12-4-6/h3-5,14H,1-2H3,(H2,10,12)(H2,11,13)
InChIKeyITCCMGFHHQDKIR-UHFFFAOYSA-N
XLogP0.88
TPSA97.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-amino-N'-hydroxy-5-propan-2-ylpyridine-3-carboximidamide?
The IUPAC name of 2-amino-N'-hydroxy-5-propan-2-ylpyridine-3-carboximidamide (CID 132590744) is 2-amino-N'-hydroxy-5-propan-2-ylpyridine-3-carboximidamide.
What is the SMILES notation for 2-amino-N'-hydroxy-5-propan-2-ylpyridine-3-carboximidamide?
The canonical SMILES for 2-amino-N'-hydroxy-5-propan-2-ylpyridine-3-carboximidamide is CC(C)c1cnc(N)c(/C(N)=N/O)c1.
What is the InChIKey of 2-amino-N'-hydroxy-5-propan-2-ylpyridine-3-carboximidamide?
The InChIKey is ITCCMGFHHQDKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-5(2)6-3-7(9(11)13-14)8(10)12-4-6/h3-5,14H,1-2H3,(H2,10,12)(H2,11,13).
What are the key properties of 2-amino-N'-hydroxy-5-propan-2-ylpyridine-3-carboximidamide?
2-amino-N'-hydroxy-5-propan-2-ylpyridine-3-carboximidamide has a molecular weight of 194.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-hydroxy-5-propan-2-ylpyridine-3-carboximidamide is sourced from PubChem (CID 132590744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).