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

C13H16N4O — CID 694457

IUPAC3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1CN1CCCCC1
InChIInChI=1S/C13H16N4O/c18-13-11-6-2-3-7-12(11)14-15-17(13)10-16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-10H2
InChIKeyWHQRLZXVZVPNKX-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.23
Rot. Bonds2

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

3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one (PubChem CID 694457) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one
PubChem CID694457
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1CN1CCCCC1
InChIInChI=1S/C13H16N4O/c18-13-11-6-2-3-7-12(11)14-15-17(13)10-16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-10H2
InChIKeyWHQRLZXVZVPNKX-UHFFFAOYSA-N
XLogP1.23
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 31584091
3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 807255
3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 35899137
1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride
CID 73012311
3-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 9205096
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24516091
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 35410706
methyl 1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]pyrrolidine-3-carboxylate
CID 112731955
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
3-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 31583091
3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 114398730
3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 30901046

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one (CID 694457) is 3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one is O=c1c2ccccc2nnn1CN1CCCCC1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one?
The InChIKey is WHQRLZXVZVPNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-13-11-6-2-3-7-12(11)14-15-17(13)10-16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of 3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one?
3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one has a molecular weight of 244.30 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 694457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).