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

C13H20N4O3 — CID 105362154

IUPAC5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]oxolane-2-carboxylic acid
SMILESCCc1nnc(NCC2CCC(C(=O)O)O2)nc1CC
InChIInChI=1S/C13H20N4O3/c1-3-9-10(4-2)16-17-13(15-9)14-7-8-5-6-11(20-8)12(18)19/h8,11H,3-7H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyQRDHSZMNYPSHME-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.04
Rot. Bonds6

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

5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 105362154) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID105362154
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]oxolane-2-carboxylic acid
SMILESCCc1nnc(NCC2CCC(C(=O)O)O2)nc1CC
InChIInChI=1S/C13H20N4O3/c1-3-9-10(4-2)16-17-13(15-9)14-7-8-5-6-11(20-8)12(18)19/h8,11H,3-7H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyQRDHSZMNYPSHME-UHFFFAOYSA-N
XLogP1.04
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[(1,2,4-benzotriazin-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 103203816
5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 112636199
5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid
CID 103235884
5-[(3-methylpentan-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 106330184
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid
CID 105362156
N-[[2-(aminomethyl)cyclopentyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363502
5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid
CID 137015890
5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103249911
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362431
5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid
CID 103243336

Frequently Asked Questions

What is the IUPAC name of 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]oxolane-2-carboxylic acid (CID 105362154) is 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]oxolane-2-carboxylic acid is CCc1nnc(NCC2CCC(C(=O)O)O2)nc1CC.
What is the InChIKey of 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is QRDHSZMNYPSHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-9-10(4-2)16-17-13(15-9)14-7-8-5-6-11(20-8)12(18)19/h8,11H,3-7H2,1-2H3,(H,18,19)(H,14,15,17).
What are the key properties of 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]oxolane-2-carboxylic acid?
5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 105362154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).