2-(1-methylindazol-3-yl)morpholine;hydrochloride

C12H16ClN3O — CID 154852944

IUPAC2-(1-methylindazol-3-yl)morpholine;hydrochloride
SMILESCl.Cn1nc(C2CNCCO2)c2ccccc21
InChIInChI=1S/C12H15N3O.ClH/c1-15-10-5-3-2-4-9(10)12(14-15)11-8-13-6-7-16-11;/h2-5,11,13H,6-8H2,1H3;1H
InChIKeyPTGMLNNZVTVFBU-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.66
Rot. Bonds1

About 2-(1-methylindazol-3-yl)morpholine;hydrochloride

2-(1-methylindazol-3-yl)morpholine;hydrochloride (PubChem CID 154852944) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(1-methylindazol-3-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name2-(1-methylindazol-3-yl)morpholine;hydrochloride
PubChem CID154852944
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-(1-methylindazol-3-yl)morpholine;hydrochloride
SMILESCl.Cn1nc(C2CNCCO2)c2ccccc21
InChIInChI=1S/C12H15N3O.ClH/c1-15-10-5-3-2-4-9(10)12(14-15)11-8-13-6-7-16-11;/h2-5,11,13H,6-8H2,1H3;1H
InChIKeyPTGMLNNZVTVFBU-UHFFFAOYSA-N
XLogP1.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-(1,4)Oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-((3-methylamino)propyl)-, hydrochloride
CID 3043818
2-(4-Methylphenyl)-3-oxa-6,9,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(16),10,12,14-tetraene
CID 44144299
1H-(1,4)Oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-((3-ethylamino)propyl)-, hydrochloride
CID 3043828
1H-(1,4)Oxazino(4,3-a)indole, 3,4-dihydro-10-ethyl-1-methyl-1-((2-methylamino)propyl)-, hydrochloride
CID 3043846
LpxC Inhibitor, L12
CID 11120182
2-(2-butyl-2h-indazol-3-yl)-N-hydroxy-4,5-dihydrooxazole-4-carboxamide
CID 44336341
[2-(1-Benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol
CID 57391889
N-[(4-fluorophenyl)methyl]-1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine
CID 118746330
1-methyl-5-[[(3S)-3-[(2-methylphenyl)methoxy]piperidin-1-yl]methyl]indazole
CID 171348668
2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 67438408
3-[But-3-enoxy(difluoro)methyl]-1-methylindazole
CID 176426587
3-[(Benzyloxy)methyl]-1-methyl-N-(2-methylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018240

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindazol-3-yl)morpholine;hydrochloride?
The IUPAC name of 2-(1-methylindazol-3-yl)morpholine;hydrochloride (CID 154852944) is 2-(1-methylindazol-3-yl)morpholine;hydrochloride.
What is the SMILES notation for 2-(1-methylindazol-3-yl)morpholine;hydrochloride?
The canonical SMILES for 2-(1-methylindazol-3-yl)morpholine;hydrochloride is Cl.Cn1nc(C2CNCCO2)c2ccccc21.
What is the InChIKey of 2-(1-methylindazol-3-yl)morpholine;hydrochloride?
The InChIKey is PTGMLNNZVTVFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.ClH/c1-15-10-5-3-2-4-9(10)12(14-15)11-8-13-6-7-16-11;/h2-5,11,13H,6-8H2,1H3;1H.
What are the key properties of 2-(1-methylindazol-3-yl)morpholine;hydrochloride?
2-(1-methylindazol-3-yl)morpholine;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindazol-3-yl)morpholine;hydrochloride is sourced from PubChem (CID 154852944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).