(2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid

C11H17N5O4 — CID 107841311

IUPAC(2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid
SMILESCCc1nnc(NC(=O)NC[C@H](O)C(=O)O)nc1CC
InChIInChI=1S/C11H17N5O4/c1-3-6-7(4-2)15-16-10(13-6)14-11(20)12-5-8(17)9(18)19/h8,17H,3-5H2,1-2H3,(H,18,19)(H2,12,13,14,16,20)/t8-/m0/s1
InChIKeyGWHMYHBVHOPGBX-QMMMGPOBSA-N
MW283.29 g/mol
LogP-0.44
Rot. Bonds6

About (2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid

(2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid (PubChem CID 107841311) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is (2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid
PubChem CID107841311
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name(2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid
SMILESCCc1nnc(NC(=O)NC[C@H](O)C(=O)O)nc1CC
InChIInChI=1S/C11H17N5O4/c1-3-6-7(4-2)15-16-10(13-6)14-11(20)12-5-8(17)9(18)19/h8,17H,3-5H2,1-2H3,(H,18,19)(H2,12,13,14,16,20)/t8-/m0/s1
InChIKeyGWHMYHBVHOPGBX-QMMMGPOBSA-N
XLogP-0.44
TPSA137.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-methylbutanoic acid
CID 114388523
(2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 104919554
2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide
CID 114387164
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanoic acid
CID 105362073
N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide
CID 146099011
(2S)-4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
CID 114007761
2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide
CID 114387635
2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide
CID 114387609
(2S)-3-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 114007698
N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide
CID 114388199
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide
CID 114388978
1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide
CID 114387210

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid (CID 107841311) is (2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid is CCc1nnc(NC(=O)NC[C@H](O)C(=O)O)nc1CC.
What is the InChIKey of (2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid?
The InChIKey is GWHMYHBVHOPGBX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-3-6-7(4-2)15-16-10(13-6)14-11(20)12-5-8(17)9(18)19/h8,17H,3-5H2,1-2H3,(H,18,19)(H2,12,13,14,16,20)/t8-/m0/s1.
What are the key properties of (2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid?
(2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid has a molecular weight of 283.29 g/mol, XLogP of -0.44, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107841311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).