N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C15H19N5O2 — CID 119613467

IUPACN-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESNCC(NC(=O)CCn1nnc2ccccc2c1=O)C1CC1
InChIInChI=1S/C15H19N5O2/c16-9-13(10-5-6-10)17-14(21)7-8-20-15(22)11-3-1-2-4-12(11)18-19-20/h1-4,10,13H,5-9,16H2,(H,17,21)
InChIKeyJCYKJEUBZUMHBT-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.04
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 119613467) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID119613467
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESNCC(NC(=O)CCn1nnc2ccccc2c1=O)C1CC1
InChIInChI=1S/C15H19N5O2/c16-9-13(10-5-6-10)17-14(21)7-8-20-15(22)11-3-1-2-4-12(11)18-19-20/h1-4,10,13H,5-9,16H2,(H,17,21)
InChIKeyJCYKJEUBZUMHBT-UHFFFAOYSA-N
XLogP0.04
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide
CID 119386440
N-[(1R)-1-cyclopropylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879308
N-(2,3-dimethylcyclohexyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 23988000
2-methyl-N-[2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]ethyl]propanamide
CID 39436419
N-(1-benzylpiperidin-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38548825
methyl (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoate
CID 39309806
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 71827903
(2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid
CID 6356856
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 100839185
N-[1-(3,4-difluorophenyl)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 46649392
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 51128222
N-(4-anilinophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 29265855

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 119613467) is N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is NCC(NC(=O)CCn1nnc2ccccc2c1=O)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is JCYKJEUBZUMHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-9-13(10-5-6-10)17-14(21)7-8-20-15(22)11-3-1-2-4-12(11)18-19-20/h1-4,10,13H,5-9,16H2,(H,17,21).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 301.35 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 119613467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).