1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine

C8H11N3O — CID 176695160

IUPAC1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine
SMILESNc1cnc2c(c1)NCCCO2
InChIInChI=1S/C8H11N3O/c9-6-4-7-8(11-5-6)12-3-1-2-10-7/h4-5,10H,1-3,9H2
InChIKeyWTSYBWGKCZWYLV-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.86
Rot. Bonds

About 1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine

1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine (PubChem CID 176695160) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine
PubChem CID176695160
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine
SMILESNc1cnc2c(c1)NCCCO2
InChIInChI=1S/C8H11N3O/c9-6-4-7-8(11-5-6)12-3-1-2-10-7/h4-5,10H,1-3,9H2
InChIKeyWTSYBWGKCZWYLV-UHFFFAOYSA-N
XLogP0.86
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 126971931
2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde
CID 90105679
4-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-7-amine
CID 118184538
(3S)-3-amino-3-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)propanoic acid
CID 18396978
ethyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxylate
CID 131337609
2,3,4,5,6,7-hexahydro-1H-8,1,4-benzoxadiazecin-10-amine
CID 142373636
7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 66936733
2,3,4,5,7,9-hexahydrofuro[3,4-h][1,5]benzoxazepine
CID 96624717
3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide
CID 141418263
6-(3,4-dihydro-2H-pyran-6-yl)-5-methylpyridin-3-amine
CID 156803172
7-amino-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
CID 130238060
3,4-dihydro-2H-1,4-benzoxazin-7-amine
CID 11480537

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine?
The IUPAC name of 1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine (CID 176695160) is 1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine.
What is the SMILES notation for 1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine?
The canonical SMILES for 1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine is Nc1cnc2c(c1)NCCCO2.
What is the InChIKey of 1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine?
The InChIKey is WTSYBWGKCZWYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-6-4-7-8(11-5-6)12-3-1-2-10-7/h4-5,10H,1-3,9H2.
What are the key properties of 1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine?
1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine has a molecular weight of 165.20 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrido[2,3-b][1,4]oxazepin-8-amine is sourced from PubChem (CID 176695160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).