methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate

C11H18N4O2 — CID 105362420

IUPACmethyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate
SMILESCCc1nnc(NC(C)C(=O)OC)nc1CC
InChIInChI=1S/C11H18N4O2/c1-5-8-9(6-2)14-15-11(13-8)12-7(3)10(16)17-4/h7H,5-6H2,1-4H3,(H,12,13,15)
InChIKeyRIFNYTUTJNVNPJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.97
Rot. Bonds5

About methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate

methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate (PubChem CID 105362420) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate
PubChem CID105362420
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Namemethyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate
SMILESCCc1nnc(NC(C)C(=O)OC)nc1CC
InChIInChI=1S/C11H18N4O2/c1-5-8-9(6-2)14-15-11(13-8)12-7(3)10(16)17-4/h7H,5-6H2,1-4H3,(H,12,13,15)
InChIKeyRIFNYTUTJNVNPJ-UHFFFAOYSA-N
XLogP0.97
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate 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

2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 103095305
N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362793
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanoic acid
CID 105362073
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol
CID 105362419
N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide
CID 146099011
3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
CID 105363517
5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine
CID 105362359
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362361
5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine
CID 105362667
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol
CID 105362502
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362431
methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropanoate
CID 105363266

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate?
The IUPAC name of methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate (CID 105362420) is methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate is CCc1nnc(NC(C)C(=O)OC)nc1CC.
What is the InChIKey of methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate?
The InChIKey is RIFNYTUTJNVNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-5-8-9(6-2)14-15-11(13-8)12-7(3)10(16)17-4/h7H,5-6H2,1-4H3,(H,12,13,15).
What are the key properties of methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate?
methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate has a molecular weight of 238.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate is sourced from PubChem (CID 105362420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).