N-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide

C17H18ClN5O3 — CID 118436896

IUPACN-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide
SMILESCc1cnn2ncn(CC(=O)NCCCOc3cccc(Cl)c3)c(=O)c12
InChIInChI=1S/C17H18ClN5O3/c1-12-9-20-23-16(12)17(25)22(11-21-23)10-15(24)19-6-3-7-26-14-5-2-4-13(18)8-14/h2,4-5,8-9,11H,3,6-7,10H2,1H3,(H,19,24)
InChIKeyCSCQGDOYTLJXKQ-UHFFFAOYSA-N
MW375.82 g/mol
LogP1.44
Rot. Bonds7

About N-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide

N-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide (PubChem CID 118436896) has the molecular formula C17H18ClN5O3 and a molecular weight of 375.82 g/mol. Its IUPAC name is N-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide
PubChem CID118436896
Molecular FormulaC17H18ClN5O3
Molecular Weight375.82 g/mol
Exact Mass375.11
IUPAC NameN-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide
SMILESCc1cnn2ncn(CC(=O)NCCCOc3cccc(Cl)c3)c(=O)c12
InChIInChI=1S/C17H18ClN5O3/c1-12-9-20-23-16(12)17(25)22(11-21-23)10-15(24)19-6-3-7-26-14-5-2-4-13(18)8-14/h2,4-5,8-9,11H,3,6-7,10H2,1H3,(H,19,24)
InChIKeyCSCQGDOYTLJXKQ-UHFFFAOYSA-N
XLogP1.44
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide?
The IUPAC name of N-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide (CID 118436896) is N-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide.
What is the SMILES notation for N-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide?
The canonical SMILES for N-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide is Cc1cnn2ncn(CC(=O)NCCCOc3cccc(Cl)c3)c(=O)c12.
What is the InChIKey of N-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide?
The InChIKey is CSCQGDOYTLJXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3/c1-12-9-20-23-16(12)17(25)22(11-21-23)10-15(24)19-6-3-7-26-14-5-2-4-13(18)8-14/h2,4-5,8-9,11H,3,6-7,10H2,1H3,(H,19,24).
What are the key properties of N-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide?
N-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide has a molecular weight of 375.82 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-4-oxopyrazolo[5,1-f][1,2,4]triazin-3-yl)acetamide is sourced from PubChem (CID 118436896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).