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

C12H19N5O4 — CID 107841310

IUPAC(2S)-4-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCCc1nnc(NC(=O)NCC[C@H](O)C(=O)O)nc1CC
InChIInChI=1S/C12H19N5O4/c1-3-7-8(4-2)16-17-11(14-7)15-12(21)13-6-5-9(18)10(19)20/h9,18H,3-6H2,1-2H3,(H,19,20)(H2,13,14,15,17,21)/t9-/m0/s1
InChIKeyDZSVNKZFXSBVKM-VIFPVBQESA-N
MW297.31 g/mol
LogP-0.05
Rot. Bonds7

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

(2S)-4-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid (PubChem CID 107841310) has the molecular formula C12H19N5O4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2S)-4-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
PubChem CID107841310
Molecular FormulaC12H19N5O4
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name(2S)-4-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCCc1nnc(NC(=O)NCC[C@H](O)C(=O)O)nc1CC
InChIInChI=1S/C12H19N5O4/c1-3-7-8(4-2)16-17-11(14-7)15-12(21)13-6-5-9(18)10(19)20/h9,18H,3-6H2,1-2H3,(H,19,20)(H2,13,14,15,17,21)/t9-/m0/s1
InChIKeyDZSVNKZFXSBVKM-VIFPVBQESA-N
XLogP-0.05
TPSA137.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid (CID 107841310) is (2S)-4-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid is CCc1nnc(NC(=O)NCC[C@H](O)C(=O)O)nc1CC.
What is the InChIKey of (2S)-4-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is DZSVNKZFXSBVKM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N5O4/c1-3-7-8(4-2)16-17-11(14-7)15-12(21)13-6-5-9(18)10(19)20/h9,18H,3-6H2,1-2H3,(H,19,20)(H2,13,14,15,17,21)/t9-/m0/s1.
What are the key properties of (2S)-4-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid?
(2S)-4-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 297.31 g/mol, XLogP of -0.05, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107841310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).