1a,9b-dihydro-1H-azirino[2,3-f][1,7]phenanthroline

C12H9N3 — CID 10750358

IUPAC1a,9b-dihydro-1H-azirino[2,3-f][1,7]phenanthroline
SMILESc1cnc2c(c1)-c1ncccc1C1NC21
InChIInChI=1S/C12H9N3/c1-3-7-9-8(4-2-5-13-9)11-12(15-11)10(7)14-6-1/h1-6,11-12,15H
InChIKeyRFCKSSSQPMLUOO-UHFFFAOYSA-N
MW195.23 g/mol
LogP1.84
Rot. Bonds

About 1a,9b-dihydro-1H-azirino[2,3-f][1,7]phenanthroline

1a,9b-dihydro-1H-azirino[2,3-f][1,7]phenanthroline (PubChem CID 10750358) has the molecular formula C12H9N3 and a molecular weight of 195.23 g/mol. Its IUPAC name is 1a,9b-dihydro-1H-azirino[2,3-f][1,7]phenanthroline.

Molecular Properties

Compound Name1a,9b-dihydro-1H-azirino[2,3-f][1,7]phenanthroline
PubChem CID10750358
Molecular FormulaC12H9N3
Molecular Weight195.23 g/mol
Exact Mass195.08
IUPAC Name1a,9b-dihydro-1H-azirino[2,3-f][1,7]phenanthroline
SMILESc1cnc2c(c1)-c1ncccc1C1NC21
InChIInChI=1S/C12H9N3/c1-3-7-9-8(4-2-5-13-9)11-12(15-11)10(7)14-6-1/h1-6,11-12,15H
InChIKeyRFCKSSSQPMLUOO-UHFFFAOYSA-N
XLogP1.84
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene
CID 70256275
3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene
CID 175097557
(9S,10S)-4,12-diazaheptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11(16),12,14,17,19,21,23,25,27-dodecaene
CID 134945623
5,6,6-trimethyl-5H-benzo[h]quinoline
CID 170777086
4,7-phenanthroline-5,6-dione
CID 6764
7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 15697626
(5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol
CID 15356186
5,6,7-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 59616840
3,9,12,18-tetrazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-8,13-dione
CID 11000045
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757
3-[(2S)-aziridin-2-yl]-2-fluoropyridine
CID 55263159
7-hydroxy-7H-furo[3,4-b]pyridin-5-one
CID 14796871

Frequently Asked Questions

What is the IUPAC name of 1a,9b-dihydro-1H-azirino[2,3-f][1,7]phenanthroline?
The IUPAC name of 1a,9b-dihydro-1H-azirino[2,3-f][1,7]phenanthroline (CID 10750358) is 1a,9b-dihydro-1H-azirino[2,3-f][1,7]phenanthroline.
What is the SMILES notation for 1a,9b-dihydro-1H-azirino[2,3-f][1,7]phenanthroline?
The canonical SMILES for 1a,9b-dihydro-1H-azirino[2,3-f][1,7]phenanthroline is c1cnc2c(c1)-c1ncccc1C1NC21.
What is the InChIKey of 1a,9b-dihydro-1H-azirino[2,3-f][1,7]phenanthroline?
The InChIKey is RFCKSSSQPMLUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-3-7-9-8(4-2-5-13-9)11-12(15-11)10(7)14-6-1/h1-6,11-12,15H.
What are the key properties of 1a,9b-dihydro-1H-azirino[2,3-f][1,7]phenanthroline?
1a,9b-dihydro-1H-azirino[2,3-f][1,7]phenanthroline has a molecular weight of 195.23 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,9b-dihydro-1H-azirino[2,3-f][1,7]phenanthroline is sourced from PubChem (CID 10750358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).