3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C17H24ClN5O2 — CID 119530272

IUPAC3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCn1nnc2ccccc2c1=O)C1CCNC1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-2-10-21(13-7-9-18-12-13)16(23)8-11-22-17(24)14-5-3-4-6-15(14)19-20-22;/h3-6,13,18H,2,7-12H2,1H3;1H
InChIKeyFSHQWBXTKKIMDP-UHFFFAOYSA-N
MW365.87 g/mol
LogP1.20
Rot. Bonds6

About 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119530272) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119530272
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC Name3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCn1nnc2ccccc2c1=O)C1CCNC1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-2-10-21(13-7-9-18-12-13)16(23)8-11-22-17(24)14-5-3-4-6-15(14)19-20-22;/h3-6,13,18H,2,7-12H2,1H3;1H
InChIKeyFSHQWBXTKKIMDP-UHFFFAOYSA-N
XLogP1.20
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119441642
N-(cyclopropylmethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propylpropanamide
CID 134061886
N-cyclohexyl-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34248936
N-cyclopropyl-N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 39533398
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 60579590
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide
CID 119386440
3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 126772645
N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 56805820
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532930
3-[3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one;hydrochloride
CID 120656482
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532014
3-[[azetidin-3-yl(methyl)amino]methyl]-1,2,3-benzotriazin-4-one
CID 66186189

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119530272) is 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is CCCN(C(=O)CCn1nnc2ccccc2c1=O)C1CCNC1.Cl.
What is the InChIKey of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is FSHQWBXTKKIMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.ClH/c1-2-10-21(13-7-9-18-12-13)16(23)8-11-22-17(24)14-5-3-4-6-15(14)19-20-22;/h3-6,13,18H,2,7-12H2,1H3;1H.
What are the key properties of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119530272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).