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

C14H19N3O — CID 122458221

IUPACN-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylethanamine
SMILESCCN(C)C[C@@H]1OCCn2nc3ccccc3c21
InChIInChI=1S/C14H19N3O/c1-3-16(2)10-13-14-11-6-4-5-7-12(11)15-17(14)8-9-18-13/h4-7,13H,3,8-10H2,1-2H3/t13-/m0/s1
InChIKeyBZAOUHVOWACXOJ-ZDUSSCGKSA-N
MW245.33 g/mol
LogP2.06
Rot. Bonds3

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

N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylethanamine (PubChem CID 122458221) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylethanamine
PubChem CID122458221
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylethanamine
SMILESCCN(C)C[C@@H]1OCCn2nc3ccccc3c21
InChIInChI=1S/C14H19N3O/c1-3-16(2)10-13-14-11-6-4-5-7-12(11)15-17(14)8-9-18-13/h4-7,13H,3,8-10H2,1-2H3/t13-/m0/s1
InChIKeyBZAOUHVOWACXOJ-ZDUSSCGKSA-N
XLogP2.06
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylethanamine?
The IUPAC name of N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylethanamine (CID 122458221) is N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylethanamine.
What is the SMILES notation for N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylethanamine?
The canonical SMILES for N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylethanamine is CCN(C)C[C@@H]1OCCn2nc3ccccc3c21.
What is the InChIKey of N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylethanamine?
The InChIKey is BZAOUHVOWACXOJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-16(2)10-13-14-11-6-4-5-7-12(11)15-17(14)8-9-18-13/h4-7,13H,3,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylethanamine?
N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 122458221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).