N-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide

C20H27N5O2 — CID 56607109

IUPACN-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide
SMILESCC(NC(=O)CC1CCCCC1)c1nn(Cc2ccccc2)c(N)nc1=O
InChIInChI=1S/C20H27N5O2/c1-14(22-17(26)12-15-8-4-2-5-9-15)18-19(27)23-20(21)25(24-18)13-16-10-6-3-7-11-16/h3,6-7,10-11,14-15H,2,4-5,8-9,12-13H2,1H3,(H,22,26)(H2,21,23,27)
InChIKeyGXESFRURCHJCJF-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.42
Rot. Bonds6

About N-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide

N-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide (PubChem CID 56607109) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide
PubChem CID56607109
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide
SMILESCC(NC(=O)CC1CCCCC1)c1nn(Cc2ccccc2)c(N)nc1=O
InChIInChI=1S/C20H27N5O2/c1-14(22-17(26)12-15-8-4-2-5-9-15)18-19(27)23-20(21)25(24-18)13-16-10-6-3-7-11-16/h3,6-7,10-11,14-15H,2,4-5,8-9,12-13H2,1H3,(H,22,26)(H2,21,23,27)
InChIKeyGXESFRURCHJCJF-UHFFFAOYSA-N
XLogP2.42
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide?
The IUPAC name of N-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide (CID 56607109) is N-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide is CC(NC(=O)CC1CCCCC1)c1nn(Cc2ccccc2)c(N)nc1=O.
What is the InChIKey of N-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide?
The InChIKey is GXESFRURCHJCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(22-17(26)12-15-8-4-2-5-9-15)18-19(27)23-20(21)25(24-18)13-16-10-6-3-7-11-16/h3,6-7,10-11,14-15H,2,4-5,8-9,12-13H2,1H3,(H,22,26)(H2,21,23,27).
What are the key properties of N-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide?
N-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide has a molecular weight of 369.47 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide is sourced from PubChem (CID 56607109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).