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

C10H15N5O4 — CID 107841307

IUPAC4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCc1nnc(NC(=O)NCCC(O)C(=O)O)nc1C
InChIInChI=1S/C10H15N5O4/c1-5-6(2)14-15-9(12-5)13-10(19)11-4-3-7(16)8(17)18/h7,16H,3-4H2,1-2H3,(H,17,18)(H2,11,12,13,15,19)
InChIKeyBSVNKEMCUOHOIV-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.55
Rot. Bonds5

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

4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid (PubChem CID 107841307) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
PubChem CID107841307
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCc1nnc(NC(=O)NCCC(O)C(=O)O)nc1C
InChIInChI=1S/C10H15N5O4/c1-5-6(2)14-15-9(12-5)13-10(19)11-4-3-7(16)8(17)18/h7,16H,3-4H2,1-2H3,(H,17,18)(H2,11,12,13,15,19)
InChIKeyBSVNKEMCUOHOIV-UHFFFAOYSA-N
XLogP-0.55
TPSA137.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid (CID 107841307) is 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid is Cc1nnc(NC(=O)NCCC(O)C(=O)O)nc1C.
What is the InChIKey of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is BSVNKEMCUOHOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-5-6(2)14-15-9(12-5)13-10(19)11-4-3-7(16)8(17)18/h7,16H,3-4H2,1-2H3,(H,17,18)(H2,11,12,13,15,19).
What are the key properties of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid?
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 269.26 g/mol, XLogP of -0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107841307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).