3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride

C13H17ClN4O — CID 78053632

IUPAC3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride
SMILESCl.O=c1c2ccccc2nnn1CC1CCCCN1
InChIInChI=1S/C13H16N4O.ClH/c18-13-11-6-1-2-7-12(11)15-16-17(13)9-10-5-3-4-8-14-10;/h1-2,6-7,10,14H,3-5,8-9H2;1H
InChIKeyQWFNELHWCZRKFP-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.36
Rot. Bonds2

About 3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride

3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride (PubChem CID 78053632) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride
PubChem CID78053632
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride
SMILESCl.O=c1c2ccccc2nnn1CC1CCCCN1
InChIInChI=1S/C13H16N4O.ClH/c18-13-11-6-1-2-7-12(11)15-16-17(13)9-10-5-3-4-8-14-10;/h1-2,6-7,10,14H,3-5,8-9H2;1H
InChIKeyQWFNELHWCZRKFP-UHFFFAOYSA-N
XLogP1.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one
CID 11723833
7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one
CID 102819861
3-methyl-1-(piperidin-2-ylmethyl)indazole
CID 84793021
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one
CID 694457
3-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 9489671
(1R,2S,5R)-2-methyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 144936453
3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 7479942
3-[[azetidin-3-yl(methyl)amino]methyl]-1,2,3-benzotriazin-4-one
CID 66186189
N-cyclohexyl-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34248936
6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3000188
3-[[(3-methylpyrrolidin-3-yl)amino]methyl]-1,2,3-benzotriazin-4-one
CID 107424167

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride?
The IUPAC name of 3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride (CID 78053632) is 3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride.
What is the SMILES notation for 3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride?
The canonical SMILES for 3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride is Cl.O=c1c2ccccc2nnn1CC1CCCCN1.
What is the InChIKey of 3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride?
The InChIKey is QWFNELHWCZRKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.ClH/c18-13-11-6-1-2-7-12(11)15-16-17(13)9-10-5-3-4-8-14-10;/h1-2,6-7,10,14H,3-5,8-9H2;1H.
What are the key properties of 3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride?
3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride has a molecular weight of 280.76 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride is sourced from PubChem (CID 78053632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).