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

C11H17N5O4 — CID 104919554

IUPAC(2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCCc1nnc(NC(=O)N[C@H](CO)C(=O)O)nc1CC
InChIInChI=1S/C11H17N5O4/c1-3-6-7(4-2)15-16-10(12-6)14-11(20)13-8(5-17)9(18)19/h8,17H,3-5H2,1-2H3,(H,18,19)(H2,12,13,14,16,20)/t8-/m1/s1
InChIKeyJIFNTWKALKWFDC-MRVPVSSYSA-N
MW283.29 g/mol
LogP-0.44
Rot. Bonds6

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

(2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-hydroxypropanoic acid (PubChem CID 104919554) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is (2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-hydroxypropanoic acid
PubChem CID104919554
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name(2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCCc1nnc(NC(=O)N[C@H](CO)C(=O)O)nc1CC
InChIInChI=1S/C11H17N5O4/c1-3-6-7(4-2)15-16-10(12-6)14-11(20)13-8(5-17)9(18)19/h8,17H,3-5H2,1-2H3,(H,18,19)(H2,12,13,14,16,20)/t8-/m1/s1
InChIKeyJIFNTWKALKWFDC-MRVPVSSYSA-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

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

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-methylbutanoic acid
CID 104919555
(2S)-3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxypropanoic acid
CID 107841311
3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 114388555
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol
CID 105362419
(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 65206273
2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
CID 114387944
(2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid
CID 80750743
2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61197493
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide
CID 114388978
(2S)-3-hydroxy-2-[(2-methylsulfanylphenyl)carbamoylamino]propanoic acid
CID 107642413
N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide
CID 114388199

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-hydroxypropanoic acid (CID 104919554) is (2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-hydroxypropanoic acid is CCc1nnc(NC(=O)N[C@H](CO)C(=O)O)nc1CC.
What is the InChIKey of (2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-hydroxypropanoic acid?
The InChIKey is JIFNTWKALKWFDC-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-3-6-7(4-2)15-16-10(12-6)14-11(20)13-8(5-17)9(18)19/h8,17H,3-5H2,1-2H3,(H,18,19)(H2,12,13,14,16,20)/t8-/m1/s1.
What are the key properties of (2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-hydroxypropanoic acid?
(2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-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 (2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 104919554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).