5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid

C16H15N5O5 — CID 18937641

IUPAC5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCc1ccc2c(=O)c3n[nH]nc3c(=O)[nH]c2c1
InChIInChI=1S/C16H15N5O5/c22-11(2-1-3-12(23)24)17-7-8-4-5-9-10(6-8)18-16(26)14-13(15(9)25)19-21-20-14/h4-6H,1-3,7H2,(H,17,22)(H,18,26)(H,23,24)(H,19,20,21)
InChIKeyDELLJPIOKPLJCZ-UHFFFAOYSA-N
MW357.33 g/mol
LogP0.03
Rot. Bonds6

About 5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid

5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid (PubChem CID 18937641) has the molecular formula C16H15N5O5 and a molecular weight of 357.33 g/mol. Its IUPAC name is 5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid
PubChem CID18937641
Molecular FormulaC16H15N5O5
Molecular Weight357.33 g/mol
Exact Mass357.11
IUPAC Name5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCc1ccc2c(=O)c3n[nH]nc3c(=O)[nH]c2c1
InChIInChI=1S/C16H15N5O5/c22-11(2-1-3-12(23)24)17-7-8-4-5-9-10(6-8)18-16(26)14-13(15(9)25)19-21-20-14/h4-6H,1-3,7H2,(H,17,22)(H,18,26)(H,23,24)(H,19,20,21)
InChIKeyDELLJPIOKPLJCZ-UHFFFAOYSA-N
XLogP0.03
TPSA157.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(Trifluoromethyl)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
CID 18697782
methyl (E)-3-(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)prop-2-enoate
CID 9904321
2-[[(E)-3-(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)prop-2-enoyl]amino]benzoic acid
CID 15487330
3-(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)-N-[(1-methyl-2H-pyridin-6-yl)methyl]propanamide
CID 18697846
3-(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)-N-[(1-ethyl-2H-pyridin-6-yl)methyl]propanamide
CID 18697849
7-[3-(4-Methylpiperazin-1-yl)-3-oxopropyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
CID 18697881
7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
CID 18697903
7-Acetyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
CID 18937599
4,10-Dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepine-7-carbaldehyde
CID 18937608
N-benzyl-N-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methyl]acetamide
CID 18937612
4-[(4,10-Dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methyl-propylamino]-4-oxobutanoic acid
CID 18937614
7-Propyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
CID 18937618

Frequently Asked Questions

What is the IUPAC name of 5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid (CID 18937641) is 5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NCc1ccc2c(=O)c3n[nH]nc3c(=O)[nH]c2c1.
What is the InChIKey of 5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid?
The InChIKey is DELLJPIOKPLJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O5/c22-11(2-1-3-12(23)24)17-7-8-4-5-9-10(6-8)18-16(26)14-13(15(9)25)19-21-20-14/h4-6H,1-3,7H2,(H,17,22)(H,18,26)(H,23,24)(H,19,20,21).
What are the key properties of 5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid?
5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid has a molecular weight of 357.33 g/mol, XLogP of 0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,10-dioxo-2,5-dihydrotriazolo[4,5-c][1]benzazepin-7-yl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 18937641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).