4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)-N-(2-phenylethyl)butanamide

C18H21N5O2 — CID 6625357

IUPAC4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)-N-(2-phenylethyl)butanamide
SMILESCc1nn(CCCC(=O)NCCc2ccccc2)c(=O)c2nccn12
InChIInChI=1S/C18H21N5O2/c1-14-21-23(18(25)17-20-11-13-22(14)17)12-5-8-16(24)19-10-9-15-6-3-2-4-7-15/h2-4,6-7,11,13H,5,8-10,12H2,1H3,(H,19,24)
InChIKeyMYHDHXITDDIQHC-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.34
Rot. Bonds7

About 4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)-N-(2-phenylethyl)butanamide

4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)-N-(2-phenylethyl)butanamide (PubChem CID 6625357) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)-N-(2-phenylethyl)butanamide
PubChem CID6625357
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)-N-(2-phenylethyl)butanamide
SMILESCc1nn(CCCC(=O)NCCc2ccccc2)c(=O)c2nccn12
InChIInChI=1S/C18H21N5O2/c1-14-21-23(18(25)17-20-11-13-22(14)17)12-5-8-16(24)19-10-9-15-6-3-2-4-7-15/h2-4,6-7,11,13H,5,8-10,12H2,1H3,(H,19,24)
InChIKeyMYHDHXITDDIQHC-UHFFFAOYSA-N
XLogP1.34
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)-N-(2-phenylethyl)butanamide?
The IUPAC name of 4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)-N-(2-phenylethyl)butanamide (CID 6625357) is 4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)-N-(2-phenylethyl)butanamide?
The canonical SMILES for 4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)-N-(2-phenylethyl)butanamide is Cc1nn(CCCC(=O)NCCc2ccccc2)c(=O)c2nccn12.
What is the InChIKey of 4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)-N-(2-phenylethyl)butanamide?
The InChIKey is MYHDHXITDDIQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-14-21-23(18(25)17-20-11-13-22(14)17)12-5-8-16(24)19-10-9-15-6-3-2-4-7-15/h2-4,6-7,11,13H,5,8-10,12H2,1H3,(H,19,24).
What are the key properties of 4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)-N-(2-phenylethyl)butanamide?
4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)-N-(2-phenylethyl)butanamide has a molecular weight of 339.40 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 6625357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).