3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one

C18H18ClN7O2 — CID 126752228

IUPAC3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCNc1nc(C)c2c(=O)n(Cc3nc(CCc4ccc(Cl)cc4)no3)cnn12
InChIInChI=1S/C18H18ClN7O2/c1-11-16-17(27)25(10-21-26(16)18(20-2)22-11)9-15-23-14(24-28-15)8-5-12-3-6-13(19)7-4-12/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,20,22)
InChIKeySPAFUOJQGDPAJR-UHFFFAOYSA-N
MW399.84 g/mol
LogP2.11
Rot. Bonds6

About 3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one

3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 126752228) has the molecular formula C18H18ClN7O2 and a molecular weight of 399.84 g/mol. Its IUPAC name is 3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID126752228
Molecular FormulaC18H18ClN7O2
Molecular Weight399.84 g/mol
Exact Mass399.12
IUPAC Name3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCNc1nc(C)c2c(=O)n(Cc3nc(CCc4ccc(Cl)cc4)no3)cnn12
InChIInChI=1S/C18H18ClN7O2/c1-11-16-17(27)25(10-21-26(16)18(20-2)22-11)9-15-23-14(24-28-15)8-5-12-3-6-13(19)7-4-12/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,20,22)
InChIKeySPAFUOJQGDPAJR-UHFFFAOYSA-N
XLogP2.11
TPSA103.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-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

CID 73297271
CID 73297271
CID 127031917
CID 127031917
CID 127031918
CID 127031918
CID 127033366
CID 127033366
CID 142421519
CID 142421519
CID 142421613
CID 142421613
CID 142421586
CID 142421586
CID 142421619
CID 142421619
CID 142421669
CID 142421669
CID 142421982
CID 142421982
CID 142422246
CID 142422246
CID 142422344
CID 142422344

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one (CID 126752228) is 3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one is CNc1nc(C)c2c(=O)n(Cc3nc(CCc4ccc(Cl)cc4)no3)cnn12.
What is the InChIKey of 3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is SPAFUOJQGDPAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7O2/c1-11-16-17(27)25(10-21-26(16)18(20-2)22-11)9-15-23-14(24-28-15)8-5-12-3-6-13(19)7-4-12/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,20,22).
What are the key properties of 3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one?
3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 399.84 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 126752228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).