4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide

C12H13N5O2 — CID 137297264

IUPAC4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
SMILESNc1nonc1/C(=N/[C@H]1CCc2ccccc21)NO
InChIInChI=1S/C12H13N5O2/c13-11-10(16-19-17-11)12(15-18)14-9-6-5-7-3-1-2-4-8(7)9/h1-4,9,18H,5-6H2,(H2,13,17)(H,14,15)/t9-/m0/s1
InChIKeyYXKZLVVRGCYFQA-VIFPVBQESA-N
MW259.27 g/mol
LogP1.06
Rot. Bonds2

About 4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide

4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 137297264) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
PubChem CID137297264
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
SMILESNc1nonc1/C(=N/[C@H]1CCc2ccccc21)NO
InChIInChI=1S/C12H13N5O2/c13-11-10(16-19-17-11)12(15-18)14-9-6-5-7-3-1-2-4-8(7)9/h1-4,9,18H,5-6H2,(H2,13,17)(H,14,15)/t9-/m0/s1
InChIKeyYXKZLVVRGCYFQA-VIFPVBQESA-N
XLogP1.06
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.06
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide (CID 137297264) is 4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide is Nc1nonc1/C(=N/[C@H]1CCc2ccccc21)NO.
What is the InChIKey of 4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is YXKZLVVRGCYFQA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N5O2/c13-11-10(16-19-17-11)12(15-18)14-9-6-5-7-3-1-2-4-8(7)9/h1-4,9,18H,5-6H2,(H2,13,17)(H,14,15)/t9-/m0/s1.
What are the key properties of 4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 259.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 137297264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).