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

C12H13N5O2 — CID 155513720

IUPAC4-amino-N'-(2,3-dihydro-1H-inden-2-yl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
SMILESNc1nonc1/C(=N/C1Cc2ccccc2C1)NO
InChIInChI=1S/C12H13N5O2/c13-11-10(16-19-17-11)12(15-18)14-9-5-7-3-1-2-4-8(7)6-9/h1-4,9,18H,5-6H2,(H2,13,17)(H,14,15)
InChIKeyPFBYMIHJANGWBV-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.54
Rot. Bonds2

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

4-amino-N'-(2,3-dihydro-1H-inden-2-yl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 155513720) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-amino-N'-(2,3-dihydro-1H-inden-2-yl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-(2,3-dihydro-1H-inden-2-yl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
PubChem CID155513720
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name4-amino-N'-(2,3-dihydro-1H-inden-2-yl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
SMILESNc1nonc1/C(=N/C1Cc2ccccc2C1)NO
InChIInChI=1S/C12H13N5O2/c13-11-10(16-19-17-11)12(15-18)14-9-5-7-3-1-2-4-8(7)6-9/h1-4,9,18H,5-6H2,(H2,13,17)(H,14,15)
InChIKeyPFBYMIHJANGWBV-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
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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Related Compounds

4-amino-N'-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
CID 137297264
4-amino-N'-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide;(3Z)-4-amino-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride;bicyclo[4.2.0]octa-1,3,5-trien-7-amine;methane;hydrochloride
CID 172988030
4-amino-N'-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
CID 137297272
4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688514
4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene
CID 142298336
4-amino-N'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
CID 135510786
4-amino-N-(2-morpholin-4-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687967
4-amino-N'-(3-chloro-4-phenylmethoxyphenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
CID 135424956
4-amino-N'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide
CID 30023841
(4-amino-1,2,5-oxadiazol-3-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62686666
4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687471
4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 65406481

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-(2,3-dihydro-1H-inden-2-yl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-(2,3-dihydro-1H-inden-2-yl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide (CID 155513720) is 4-amino-N'-(2,3-dihydro-1H-inden-2-yl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-(2,3-dihydro-1H-inden-2-yl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-(2,3-dihydro-1H-inden-2-yl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide is Nc1nonc1/C(=N/C1Cc2ccccc2C1)NO.
What is the InChIKey of 4-amino-N'-(2,3-dihydro-1H-inden-2-yl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is PFBYMIHJANGWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c13-11-10(16-19-17-11)12(15-18)14-9-5-7-3-1-2-4-8(7)6-9/h1-4,9,18H,5-6H2,(H2,13,17)(H,14,15).
What are the key properties of 4-amino-N'-(2,3-dihydro-1H-inden-2-yl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-(2,3-dihydro-1H-inden-2-yl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 259.27 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-(2,3-dihydro-1H-inden-2-yl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 155513720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).