1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole

C13H13N3O — CID 145138466

IUPAC1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole
SMILESc1ccc2c3n(nc2c1)CCOC3C1=NCC1
InChIInChI=1S/C13H13N3O/c1-2-4-10-9(3-1)12-13(11-5-6-14-11)17-8-7-16(12)15-10/h1-4,13H,5-8H2
InChIKeyFCLSAGUOPVKMDC-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.95
Rot. Bonds1

About 1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole

1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole (PubChem CID 145138466) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole.

Molecular Properties

Compound Name1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole
PubChem CID145138466
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole
SMILESc1ccc2c3n(nc2c1)CCOC3C1=NCC1
InChIInChI=1S/C13H13N3O/c1-2-4-10-9(3-1)12-13(11-5-6-14-11)17-8-7-16(12)15-10/h1-4,13H,5-8H2
InChIKeyFCLSAGUOPVKMDC-UHFFFAOYSA-N
XLogP1.95
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylazetidin-3-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole
CID 122458227
N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylethanamine
CID 122458221
1-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-1-methylhydrazine
CID 162467999
(1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride
CID 159831798
(1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole
CID 122458295
(1R)-1-[(3S)-morpholin-4-ium-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride
CID 122458196
1-[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]-N-methylmethanamine;phosphoric acid
CID 175745948
cyclobutyl-methyl-(1,3,4,5-tetrahydro-[1,4]oxazepino[4,3-b]indazol-1-yl)azanium;ethane
CID 145138440
tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate
CID 122494373
tert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate
CID 122494423
2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 134563896
tert-butyl 3-(1,3,4,5-tetrahydro-[1,4]oxazepino[4,3-b]indazol-1-yl)propanoate
CID 140738740

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole?
The IUPAC name of 1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole (CID 145138466) is 1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole.
What is the SMILES notation for 1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole?
The canonical SMILES for 1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole is c1ccc2c3n(nc2c1)CCOC3C1=NCC1.
What is the InChIKey of 1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole?
The InChIKey is FCLSAGUOPVKMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-4-10-9(3-1)12-13(11-5-6-14-11)17-8-7-16(12)15-10/h1-4,13H,5-8H2.
What are the key properties of 1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole?
1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole has a molecular weight of 227.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole is sourced from PubChem (CID 145138466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).