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

C14H17N3O — CID 122458227

IUPAC1-(1-methylazetidin-3-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole
SMILESCN1CC(C2OCCn3nc4ccccc4c32)C1
InChIInChI=1S/C14H17N3O/c1-16-8-10(9-16)14-13-11-4-2-3-5-12(11)15-17(13)6-7-18-14/h2-5,10,14H,6-9H2,1H3
InChIKeyDVPXMWBNJNZHMY-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.67
Rot. Bonds1

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

1-(1-methylazetidin-3-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole (PubChem CID 122458227) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1-methylazetidin-3-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole.

Molecular Properties

Compound Name1-(1-methylazetidin-3-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole
PubChem CID122458227
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(1-methylazetidin-3-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole
SMILESCN1CC(C2OCCn3nc4ccccc4c32)C1
InChIInChI=1S/C14H17N3O/c1-16-8-10(9-16)14-13-11-4-2-3-5-12(11)15-17(13)6-7-18-14/h2-5,10,14H,6-9H2,1H3
InChIKeyDVPXMWBNJNZHMY-UHFFFAOYSA-N
XLogP1.67
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole
CID 122458295
(1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride
CID 159831798
1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole
CID 145138466
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
(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
tert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate
CID 122494423
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
2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one
CID 137099765
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-(1-methylazetidin-3-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole?
The IUPAC name of 1-(1-methylazetidin-3-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole (CID 122458227) is 1-(1-methylazetidin-3-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole.
What is the SMILES notation for 1-(1-methylazetidin-3-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole?
The canonical SMILES for 1-(1-methylazetidin-3-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole is CN1CC(C2OCCn3nc4ccccc4c32)C1.
What is the InChIKey of 1-(1-methylazetidin-3-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole?
The InChIKey is DVPXMWBNJNZHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-8-10(9-16)14-13-11-4-2-3-5-12(11)15-17(13)6-7-18-14/h2-5,10,14H,6-9H2,1H3.
What are the key properties of 1-(1-methylazetidin-3-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole?
1-(1-methylazetidin-3-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole has a molecular weight of 243.31 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylazetidin-3-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole is sourced from PubChem (CID 122458227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).