2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid

C15H24N4O2 — CID 105362120

IUPAC2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid
SMILESCCc1nnc(NC2(CC(=O)O)CCCCC2)nc1CC
InChIInChI=1S/C15H24N4O2/c1-3-11-12(4-2)18-19-14(16-11)17-15(10-13(20)21)8-6-5-7-9-15/h3-10H2,1-2H3,(H,20,21)(H,16,17,19)
InChIKeyWMGVJBSXENYYDE-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.59
Rot. Bonds6

About 2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid

2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid (PubChem CID 105362120) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid
PubChem CID105362120
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid
SMILESCCc1nnc(NC2(CC(=O)O)CCCCC2)nc1CC
InChIInChI=1S/C15H24N4O2/c1-3-11-12(4-2)18-19-14(16-11)17-15(10-13(20)21)8-6-5-7-9-15/h3-10H2,1-2H3,(H,20,21)(H,16,17,19)
InChIKeyWMGVJBSXENYYDE-UHFFFAOYSA-N
XLogP2.59
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid with MolForge

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Related Compounds

2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
CID 64701184
1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide
CID 114387937
2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid
CID 64700993
2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid
CID 79848305
2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64702363
2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64701575
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]cyclobutyl]acetic acid
CID 79845508
2-[1-[(2-methylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671362
2-[1-[(4-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]acetic acid
CID 64699603
2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 102810261
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid (CID 105362120) is 2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid is CCc1nnc(NC2(CC(=O)O)CCCCC2)nc1CC.
What is the InChIKey of 2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid?
The InChIKey is WMGVJBSXENYYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-11-12(4-2)18-19-14(16-11)17-15(10-13(20)21)8-6-5-7-9-15/h3-10H2,1-2H3,(H,20,21)(H,16,17,19).
What are the key properties of 2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid?
2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 105362120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).