4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine

C10H12N4O2 — CID 1095027

IUPAC4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine
SMILESNc1ccc(N2CCOCC2)c2nonc12
InChIInChI=1S/C10H12N4O2/c11-7-1-2-8(10-9(7)12-16-13-10)14-3-5-15-6-4-14/h1-2H,3-6,11H2
InChIKeyLWCSTSZSZFUHAT-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.64
Rot. Bonds1

About 4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine

4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine (PubChem CID 1095027) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine
PubChem CID1095027
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine
SMILESNc1ccc(N2CCOCC2)c2nonc12
InChIInChI=1S/C10H12N4O2/c11-7-1-2-8(10-9(7)12-16-13-10)14-3-5-15-6-4-14/h1-2H,3-6,11H2
InChIKeyLWCSTSZSZFUHAT-UHFFFAOYSA-N
XLogP0.64
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-Methyl-1-piperazinyl)-7-nitro-2,1,3-benzoxadiazole 3-oxide
CID 42640
4-Benzofurazanamine, N,N-dimethyl-7-nitro-
CID 15079
7-Piperidin-1-yl-2,1,3-benzoxadiazol-4-amine
CID 1095028
2-[[4-(Azepan-1-yl)-7-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol
CID 3950396
Ethyl 4-{6-[(2-hydroxyethyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperazine-1-carboxylate
CID 5206473
2-[(7-{[3-(4-Methylpiperidin-1-yl)propyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol
CID 5211042
AK-778/37151021
CID 2868607
5-(Butylamino)-4-nitro-2,1,3-benzothiadiazole
CID 3476606
7-(Azepan-1-yl)-4-nitro-2,1,3-benzoxadiazole
CID 2836642
2-{Methyl[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethanol
CID 4338403
4-Benzofurazanamine, 7-nitro-N-propyl-
CID 606440
4-Nitro-7-piperazino-2,1,3-benzoxadiazole
CID 10586684

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine?
The IUPAC name of 4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine (CID 1095027) is 4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine.
What is the SMILES notation for 4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine?
The canonical SMILES for 4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine is Nc1ccc(N2CCOCC2)c2nonc12.
What is the InChIKey of 4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine?
The InChIKey is LWCSTSZSZFUHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-7-1-2-8(10-9(7)12-16-13-10)14-3-5-15-6-4-14/h1-2H,3-6,11H2.
What are the key properties of 4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine?
4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine has a molecular weight of 220.23 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine is sourced from PubChem (CID 1095027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).