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

C11H17N5O4 — CID 103160064

IUPAC4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)Nc1nnc(C)c(C)n1)CC(=O)O
InChIInChI=1S/C11H17N5O4/c1-6-7(2)15-16-10(13-6)14-11(19)12-5-8(20-3)4-9(17)18/h8H,4-5H2,1-3H3,(H,17,18)(H2,12,13,14,16,19)
InChIKeyKSUHLDSCXBYCBN-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.10
Rot. Bonds6

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

4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-methoxybutanoic acid (PubChem CID 103160064) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-methoxybutanoic acid
PubChem CID103160064
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)Nc1nnc(C)c(C)n1)CC(=O)O
InChIInChI=1S/C11H17N5O4/c1-6-7(2)15-16-10(13-6)14-11(19)12-5-8(20-3)4-9(17)18/h8H,4-5H2,1-3H3,(H,17,18)(H2,12,13,14,16,19)
InChIKeyKSUHLDSCXBYCBN-UHFFFAOYSA-N
XLogP0.10
TPSA126.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.10
H-Bond Donors ≤ 53
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]-3-methoxybutanoic acid?
The IUPAC name of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-methoxybutanoic acid (CID 103160064) is 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-methoxybutanoic acid is COC(CNC(=O)Nc1nnc(C)c(C)n1)CC(=O)O.
What is the InChIKey of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-methoxybutanoic acid?
The InChIKey is KSUHLDSCXBYCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-6-7(2)15-16-10(13-6)14-11(19)12-5-8(20-3)4-9(17)18/h8H,4-5H2,1-3H3,(H,17,18)(H2,12,13,14,16,19).
What are the key properties of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-methoxybutanoic acid?
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-methoxybutanoic acid has a molecular weight of 283.29 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 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]-3-methoxybutanoic acid is sourced from PubChem (CID 103160064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).