4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid

C11H17N5O3 — CID 64575845

IUPAC4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C11H17N5O3/c1-14(4-2-3-10(17)18)11(19)15-5-6-16-8-12-13-9(16)7-15/h8H,2-7H2,1H3,(H,17,18)
InChIKeyZFCZIWMDYLRTRT-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.01
Rot. Bonds4

About 4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid

4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid (PubChem CID 64575845) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid
PubChem CID64575845
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C11H17N5O3/c1-14(4-2-3-10(17)18)11(19)15-5-6-16-8-12-13-9(16)7-15/h8H,2-7H2,1H3,(H,17,18)
InChIKeyZFCZIWMDYLRTRT-UHFFFAOYSA-N
XLogP0.01
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid (CID 64575845) is 4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)N1CCn2cnnc2C1.
What is the InChIKey of 4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid?
The InChIKey is ZFCZIWMDYLRTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-14(4-2-3-10(17)18)11(19)15-5-6-16-8-12-13-9(16)7-15/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid?
4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid has a molecular weight of 267.29 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid is sourced from PubChem (CID 64575845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).