5-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1H-indol-2-ol

C12H13N3O2 — CID 164873406

IUPAC5-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1H-indol-2-ol
SMILESNc1ccc2[nH]c(O)c(C3=NCCOC3)c2c1
InChIInChI=1S/C12H13N3O2/c13-7-1-2-9-8(5-7)11(12(16)15-9)10-6-17-4-3-14-10/h1-2,5,15-16H,3-4,6,13H2
InChIKeyHHRPLUQZJHBFBT-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.27
Rot. Bonds1

About 5-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1H-indol-2-ol

5-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1H-indol-2-ol (PubChem CID 164873406) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name5-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1H-indol-2-ol
PubChem CID164873406
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1H-indol-2-ol
SMILESNc1ccc2[nH]c(O)c(C3=NCCOC3)c2c1
InChIInChI=1S/C12H13N3O2/c13-7-1-2-9-8(5-7)11(12(16)15-9)10-6-17-4-3-14-10/h1-2,5,15-16H,3-4,6,13H2
InChIKeyHHRPLUQZJHBFBT-UHFFFAOYSA-N
XLogP1.27
TPSA83.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,4-diamine;9H-carbazole-3,6-diamine
CID 155092282
9H-carbazole-3,6-diamine;dihydrochloride
CID 131882609
2-(5-amino-2-hydroxy-1H-indol-3-yl)-5-bromoindol-3-one
CID 135971466
5-fluoro-3-(3H-indol-2-yl)-1H-indol-2-ol
CID 170658220
9H-carbazole;9H-carbazole-3,6-diamine
CID 161182207
4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
CID 135434982
8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424073
methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate
CID 125474812
(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 54944614
5-amino-N,3-diphenyl-1H-indole-2-carboxamide
CID 69244689
3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine
CID 69074655
8-methyl-5,11-dihydroindolo[3,2-b]carbazol-2-amine
CID 123384681

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1H-indol-2-ol?
The IUPAC name of 5-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1H-indol-2-ol (CID 164873406) is 5-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1H-indol-2-ol.
What is the SMILES notation for 5-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1H-indol-2-ol?
The canonical SMILES for 5-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1H-indol-2-ol is Nc1ccc2[nH]c(O)c(C3=NCCOC3)c2c1.
What is the InChIKey of 5-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1H-indol-2-ol?
The InChIKey is HHRPLUQZJHBFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-7-1-2-9-8(5-7)11(12(16)15-9)10-6-17-4-3-14-10/h1-2,5,15-16H,3-4,6,13H2.
What are the key properties of 5-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1H-indol-2-ol?
5-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1H-indol-2-ol has a molecular weight of 231.25 g/mol, XLogP of 1.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1H-indol-2-ol is sourced from PubChem (CID 164873406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).