aminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride

C10H15ClN6O2 — CID 155147487

IUPACaminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride
SMILESCc1ccc(-c2nnc(N)o2)cc1.Cl.NNC(N)=O
InChIInChI=1S/C9H9N3O.CH5N3O.ClH/c1-6-2-4-7(5-3-6)8-11-12-9(10)13-8;2-1(5)4-3;/h2-5H,1H3,(H2,10,12);3H2,(H3,2,4,5);1H
InChIKeyIXMSMXGPYVLNFG-UHFFFAOYSA-N
MW286.72 g/mol
LogP0.58
Rot. Bonds1

About aminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride

aminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride (PubChem CID 155147487) has the molecular formula C10H15ClN6O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is aminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Nameaminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride
PubChem CID155147487
Molecular FormulaC10H15ClN6O2
Molecular Weight286.72 g/mol
Exact Mass286.09
IUPAC Nameaminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride
SMILESCc1ccc(-c2nnc(N)o2)cc1.Cl.NNC(N)=O
InChIInChI=1S/C9H9N3O.CH5N3O.ClH/c1-6-2-4-7(5-3-6)8-11-12-9(10)13-8;2-1(5)4-3;/h2-5H,1H3,(H2,10,12);3H2,(H3,2,4,5);1H
InChIKeyIXMSMXGPYVLNFG-UHFFFAOYSA-N
XLogP0.58
TPSA146.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 aminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride?
The IUPAC name of aminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride (CID 155147487) is aminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride.
What is the SMILES notation for aminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride?
The canonical SMILES for aminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride is Cc1ccc(-c2nnc(N)o2)cc1.Cl.NNC(N)=O.
What is the InChIKey of aminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride?
The InChIKey is IXMSMXGPYVLNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.CH5N3O.ClH/c1-6-2-4-7(5-3-6)8-11-12-9(10)13-8;2-1(5)4-3;/h2-5H,1H3,(H2,10,12);3H2,(H3,2,4,5);1H.
What are the key properties of aminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride?
aminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride has a molecular weight of 286.72 g/mol, XLogP of 0.58, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride is sourced from PubChem (CID 155147487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).