4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene

C12H15N5O2 — CID 142298336

IUPAC4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene
SMILESN/C(=N\O)c1nonc1N.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.C3H5N5O2/c1-2-5-9-7-3-6-8(9)4-1;4-2(6-9)1-3(5)8-10-7-1/h1-2,4-5H,3,6-7H2;9H,(H2,4,6)(H2,5,8)
InChIKeyDZYMKLWFSKUHHN-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.92
Rot. Bonds1

About 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene

4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene (PubChem CID 142298336) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene
PubChem CID142298336
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene
SMILESN/C(=N\O)c1nonc1N.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.C3H5N5O2/c1-2-5-9-7-3-6-8(9)4-1;4-2(6-9)1-3(5)8-10-7-1/h1-2,4-5H,3,6-7H2;9H,(H2,4,6)(H2,5,8)
InChIKeyDZYMKLWFSKUHHN-UHFFFAOYSA-N
XLogP0.92
TPSA123.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.92
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene?
The IUPAC name of 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene (CID 142298336) is 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene.
What is the SMILES notation for 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene?
The canonical SMILES for 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene is N/C(=N\O)c1nonc1N.c1ccc2c(c1)CCC2.
What is the InChIKey of 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene?
The InChIKey is DZYMKLWFSKUHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C3H5N5O2/c1-2-5-9-7-3-6-8(9)4-1;4-2(6-9)1-3(5)8-10-7-1/h1-2,4-5H,3,6-7H2;9H,(H2,4,6)(H2,5,8).
What are the key properties of 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene?
4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene has a molecular weight of 261.29 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene is sourced from PubChem (CID 142298336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).