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

C15H24N4O2 — CID 105362156

IUPAC2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid
SMILESCCc1nnc(NC2CCCCCC2C(=O)O)nc1CC
InChIInChI=1S/C15H24N4O2/c1-3-11-12(4-2)18-19-15(16-11)17-13-9-7-5-6-8-10(13)14(20)21/h10,13H,3-9H2,1-2H3,(H,20,21)(H,16,17,19)
InChIKeyXRIABFFMFGZWPB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.44
Rot. Bonds5

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

2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid (PubChem CID 105362156) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid
PubChem CID105362156
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid
SMILESCCc1nnc(NC2CCCCCC2C(=O)O)nc1CC
InChIInChI=1S/C15H24N4O2/c1-3-11-12(4-2)18-19-15(16-11)17-13-9-7-5-6-8-10(13)14(20)21/h10,13H,3-9H2,1-2H3,(H,20,21)(H,16,17,19)
InChIKeyXRIABFFMFGZWPB-UHFFFAOYSA-N
XLogP2.44
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid 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

N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 106365704
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270845
2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 112636132
5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]oxolane-2-carboxylic acid
CID 105362154
N-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide
CID 114387673
N-(2,2-dimethylcyclohexyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362732
cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid
CID 164653891
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64813133
2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid
CID 105362120
2-[(4,6-dimethylpyrimidin-2-yl)amino]cycloheptane-1-carboxamide
CID 84592830
2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 115973093
N-cyclohexyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 3238547

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid (CID 105362156) is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid is CCc1nnc(NC2CCCCCC2C(=O)O)nc1CC.
What is the InChIKey of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is XRIABFFMFGZWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-11-12(4-2)18-19-15(16-11)17-13-9-7-5-6-8-10(13)14(20)21/h10,13H,3-9H2,1-2H3,(H,20,21)(H,16,17,19).
What are the key properties of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid?
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 105362156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).