[(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine

C12H15N3O — CID 165409413

IUPAC[(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine
SMILESC[C@H]1CO[C@H](CN)c2c3ccccc3nn21
InChIInChI=1S/C12H15N3O/c1-8-7-16-11(6-13)12-9-4-2-3-5-10(9)14-15(8)12/h2-5,8,11H,6-7,13H2,1H3/t8-,11+/m0/s1
InChIKeyZWFVEJJFLGICTN-GZMMTYOYSA-N
MW217.27 g/mol
LogP1.63
Rot. Bonds1

About [(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine

[(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine (PubChem CID 165409413) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine.

Molecular Properties

Compound Name[(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine
PubChem CID165409413
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine
SMILESC[C@H]1CO[C@H](CN)c2c3ccccc3nn21
InChIInChI=1S/C12H15N3O/c1-8-7-16-11(6-13)12-9-4-2-3-5-10(9)14-15(8)12/h2-5,8,11H,6-7,13H2,1H3/t8-,11+/m0/s1
InChIKeyZWFVEJJFLGICTN-GZMMTYOYSA-N
XLogP1.63
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine?
The IUPAC name of [(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine (CID 165409413) is [(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine.
What is the SMILES notation for [(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine?
The canonical SMILES for [(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine is C[C@H]1CO[C@H](CN)c2c3ccccc3nn21.
What is the InChIKey of [(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine?
The InChIKey is ZWFVEJJFLGICTN-GZMMTYOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-7-16-11(6-13)12-9-4-2-3-5-10(9)14-15(8)12/h2-5,8,11H,6-7,13H2,1H3/t8-,11+/m0/s1.
What are the key properties of [(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine?
[(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine is sourced from PubChem (CID 165409413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).