2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid

C10H15N3O2 — CID 105363547

IUPAC2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid
SMILESCCc1nnc(C(C)C(=O)O)nc1CC
InChIInChI=1S/C10H15N3O2/c1-4-7-8(5-2)12-13-9(11-7)6(3)10(14)15/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyJDNAVADPAUITHZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.18
Rot. Bonds4

About 2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid

2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid (PubChem CID 105363547) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid
PubChem CID105363547
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid
SMILESCCc1nnc(C(C)C(=O)O)nc1CC
InChIInChI=1S/C10H15N3O2/c1-4-7-8(5-2)12-13-9(11-7)6(3)10(14)15/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyJDNAVADPAUITHZ-UHFFFAOYSA-N
XLogP1.18
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanoic acid
CID 105362073
(2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 104919555
3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-methylbutanoic acid
CID 114388523
3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 114388555
methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate
CID 105362420
2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid
CID 105448076
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 103095305
(2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid
CID 107841311
(2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 104919554
2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid
CID 105462961
2-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 83887374
N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide
CID 146099011

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid?
The IUPAC name of 2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid (CID 105363547) is 2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid.
What is the SMILES notation for 2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid?
The canonical SMILES for 2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid is CCc1nnc(C(C)C(=O)O)nc1CC.
What is the InChIKey of 2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid?
The InChIKey is JDNAVADPAUITHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-7-8(5-2)12-13-9(11-7)6(3)10(14)15/h6H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid?
2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid is sourced from PubChem (CID 105363547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).