3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one

C14H20N4O — CID 62566912

IUPAC3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one
SMILESCCCC(C)NCCn1nnc2ccccc2c1=O
InChIInChI=1S/C14H20N4O/c1-3-6-11(2)15-9-10-18-14(19)12-7-4-5-8-13(12)16-17-18/h4-5,7-8,11,15H,3,6,9-10H2,1-2H3
InChIKeySGTDRAPSUNZPDY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.57
Rot. Bonds6

About 3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one

3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one (PubChem CID 62566912) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one
PubChem CID62566912
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one
SMILESCCCC(C)NCCn1nnc2ccccc2c1=O
InChIInChI=1S/C14H20N4O/c1-3-6-11(2)15-9-10-18-14(19)12-7-4-5-8-13(12)16-17-18/h4-5,7-8,11,15H,3,6,9-10H2,1-2H3
InChIKeySGTDRAPSUNZPDY-UHFFFAOYSA-N
XLogP1.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one 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

3-[2-(heptan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one
CID 62566724
N-[2-(benzotriazol-1-yl)ethyl]pentan-2-amine
CID 55087940
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
N-(5-methylhexan-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 78812534
N-[(2S)-5-methylhexan-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879393
(2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid
CID 6356856
3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one
CID 62563376
2-methyl-N-[2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]ethyl]propanamide
CID 39436419
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 124844233
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
2-cyano-3-oxo-5-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propylpentanamide
CID 60501411
N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2110452

Frequently Asked Questions

What is the IUPAC name of 3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one (CID 62566912) is 3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one is CCCC(C)NCCn1nnc2ccccc2c1=O.
What is the InChIKey of 3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one?
The InChIKey is SGTDRAPSUNZPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-6-11(2)15-9-10-18-14(19)12-7-4-5-8-13(12)16-17-18/h4-5,7-8,11,15H,3,6,9-10H2,1-2H3.
What are the key properties of 3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one?
3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one has a molecular weight of 260.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 62566912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).