N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine

C13H17N3O — CID 166766273

IUPACN-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine
SMILESCNC[C@@H]1OCCn2nc3cc(C)ccc3c21
InChIInChI=1S/C13H17N3O/c1-9-3-4-10-11(7-9)15-16-5-6-17-12(8-14-2)13(10)16/h3-4,7,12,14H,5-6,8H2,1-2H3/t12-/m0/s1
InChIKeySBHXPINEWWPTNJ-LBPRGKRZSA-N
MW231.30 g/mol
LogP1.64
Rot. Bonds2

About N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine

N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine (PubChem CID 166766273) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine
PubChem CID166766273
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine
SMILESCNC[C@@H]1OCCn2nc3cc(C)ccc3c21
InChIInChI=1S/C13H17N3O/c1-9-3-4-10-11(7-9)15-16-5-6-17-12(8-14-2)13(10)16/h3-4,7,12,14H,5-6,8H2,1-2H3/t12-/m0/s1
InChIKeySBHXPINEWWPTNJ-LBPRGKRZSA-N
XLogP1.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine?
The IUPAC name of N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine (CID 166766273) is N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine is CNC[C@@H]1OCCn2nc3cc(C)ccc3c21.
What is the InChIKey of N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine?
The InChIKey is SBHXPINEWWPTNJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-3-4-10-11(7-9)15-16-5-6-17-12(8-14-2)13(10)16/h3-4,7,12,14H,5-6,8H2,1-2H3/t12-/m0/s1.
What are the key properties of N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine?
N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methanamine is sourced from PubChem (CID 166766273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).