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

C18H25N5O2 — CID 20885675

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide
SMILESCc1nn(CCCC(=O)NCCC2=CCCCC2)c(=O)c2nccn12
InChIInChI=1S/C18H25N5O2/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/h6,11,13H,2-5,7-10,12H2,1H3,(H,19,24)
InChIKeySHFSRZLGEVBNGX-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.99
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide (PubChem CID 20885675) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide
PubChem CID20885675
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide
SMILESCc1nn(CCCC(=O)NCCC2=CCCCC2)c(=O)c2nccn12
InChIInChI=1S/C18H25N5O2/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/h6,11,13H,2-5,7-10,12H2,1H3,(H,19,24)
InChIKeySHFSRZLGEVBNGX-UHFFFAOYSA-N
XLogP1.99
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide (CID 20885675) is N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide is Cc1nn(CCCC(=O)NCCC2=CCCCC2)c(=O)c2nccn12.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
The InChIKey is SHFSRZLGEVBNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/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/h6,11,13H,2-5,7-10,12H2,1H3,(H,19,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide has a molecular weight of 343.43 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide is sourced from PubChem (CID 20885675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).