1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride

C14H17ClN4O — CID 154924166

IUPAC1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride
SMILESCl.c1ccc2c(c1)OCc1nnc(C3CCCNC3)n1-2
InChIInChI=1S/C14H16N4O.ClH/c1-2-6-12-11(5-1)18-13(9-19-12)16-17-14(18)10-4-3-7-15-8-10;/h1-2,5-6,10,15H,3-4,7-9H2;1H
InChIKeyJZUKUXCIQKEWNA-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.05
Rot. Bonds1

About 1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride

1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride (PubChem CID 154924166) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride.

Molecular Properties

Compound Name1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride
PubChem CID154924166
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride
SMILESCl.c1ccc2c(c1)OCc1nnc(C3CCCNC3)n1-2
InChIInChI=1S/C14H16N4O.ClH/c1-2-6-12-11(5-1)18-13(9-19-12)16-17-14(18)10-4-3-7-15-8-10;/h1-2,5-6,10,15H,3-4,7-9H2;1H
InChIKeyJZUKUXCIQKEWNA-UHFFFAOYSA-N
XLogP2.05
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-pyrrolidin-2-yl]-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
CID 138379011
4-(2-fluorophenyl)-3-piperidin-3-yl-1H-1,2,4-triazol-5-one
CID 81488809
1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 24847216
1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride
CID 18520560
1-(1-pyrazol-1-ylethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 138809818
3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine
CID 62710235
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614
3-(2,3-dihydro-1H-inden-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911895
1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine
CID 18520561
3-(1,3-benzodioxol-2-yl)piperidine
CID 115062724
N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxamide;hydrochloride
CID 119333239
3-(1,3-benzodioxol-5-yl)piperidine
CID 66727486

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride?
The IUPAC name of 1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride (CID 154924166) is 1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride.
What is the SMILES notation for 1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride?
The canonical SMILES for 1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride is Cl.c1ccc2c(c1)OCc1nnc(C3CCCNC3)n1-2.
What is the InChIKey of 1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride?
The InChIKey is JZUKUXCIQKEWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O.ClH/c1-2-6-12-11(5-1)18-13(9-19-12)16-17-14(18)10-4-3-7-15-8-10;/h1-2,5-6,10,15H,3-4,7-9H2;1H.
What are the key properties of 1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride?
1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine;hydrochloride is sourced from PubChem (CID 154924166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).