5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole

C12H9N3O — CID 762988

IUPAC5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole
SMILESc1ccc2c3c([nH]c2c1)-c1nonc1CC3
InChIInChI=1S/C12H9N3O/c1-2-4-9-7(3-1)8-5-6-10-12(11(8)13-9)15-16-14-10/h1-4,13H,5-6H2
InChIKeyCEKVZGMPIHSBOK-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.32
Rot. Bonds

About 5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole

5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole (PubChem CID 762988) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole.

Molecular Properties

Compound Name5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole
PubChem CID762988
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole
SMILESc1ccc2c3c([nH]c2c1)-c1nonc1CC3
InChIInChI=1S/C12H9N3O/c1-2-4-9-7(3-1)8-5-6-10-12(11(8)13-9)15-16-14-10/h1-4,13H,5-6H2
InChIKeyCEKVZGMPIHSBOK-UHFFFAOYSA-N
XLogP2.32
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2,5,27-triazaheptacyclo[15.11.0.03,15.04,12.06,11.020,28.021,26]octacosa-1,3(15),4(12),6,8,10,16,20(28),21,23,25-undecaene
CID 14318406
7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole
CID 1126113
2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene
CID 18715259
(Z)-N-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]-2,3,4,9-tetrahydrocarbazol-1-imine
CID 135400598
4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene
CID 24864743
1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole
CID 876853
1-(4-methylphenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 132837986
2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene
CID 67755947
[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate
CID 135400453
3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 135242913
1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 11242982
9H-carbazole
CID 66668984

Frequently Asked Questions

What is the IUPAC name of 5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole?
The IUPAC name of 5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole (CID 762988) is 5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole.
What is the SMILES notation for 5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole?
The canonical SMILES for 5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole is c1ccc2c3c([nH]c2c1)-c1nonc1CC3.
What is the InChIKey of 5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole?
The InChIKey is CEKVZGMPIHSBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-2-4-9-7(3-1)8-5-6-10-12(11(8)13-9)15-16-14-10/h1-4,13H,5-6H2.
What are the key properties of 5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole?
5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole has a molecular weight of 211.22 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole is sourced from PubChem (CID 762988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).