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

C12H16N4O — CID 162467999

IUPAC1-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-1-methylhydrazine
SMILESCN(N)C[C@@H]1OCCn2nc3ccccc3c21
InChIInChI=1S/C12H16N4O/c1-15(13)8-11-12-9-4-2-3-5-10(9)14-16(12)6-7-17-11/h2-5,11H,6-8,13H2,1H3/t11-/m0/s1
InChIKeyNNCPGIQIAPMECB-NSHDSACASA-N
MW232.29 g/mol
LogP0.91
Rot. Bonds2

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

1-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-1-methylhydrazine (PubChem CID 162467999) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-1-methylhydrazine
PubChem CID162467999
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-1-methylhydrazine
SMILESCN(N)C[C@@H]1OCCn2nc3ccccc3c21
InChIInChI=1S/C12H16N4O/c1-15(13)8-11-12-9-4-2-3-5-10(9)14-16(12)6-7-17-11/h2-5,11H,6-8,13H2,1H3/t11-/m0/s1
InChIKeyNNCPGIQIAPMECB-NSHDSACASA-N
XLogP0.91
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-1-methylhydrazine?
The IUPAC name of 1-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-1-methylhydrazine (CID 162467999) is 1-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-1-methylhydrazine.
What is the SMILES notation for 1-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-1-methylhydrazine?
The canonical SMILES for 1-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-1-methylhydrazine is CN(N)C[C@@H]1OCCn2nc3ccccc3c21.
What is the InChIKey of 1-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-1-methylhydrazine?
The InChIKey is NNCPGIQIAPMECB-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N4O/c1-15(13)8-11-12-9-4-2-3-5-10(9)14-16(12)6-7-17-11/h2-5,11H,6-8,13H2,1H3/t11-/m0/s1.
What are the key properties of 1-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-1-methylhydrazine?
1-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-1-methylhydrazine has a molecular weight of 232.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-1-methylhydrazine is sourced from PubChem (CID 162467999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).