2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid

C10H14N6O4 — CID 115458456

IUPAC2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)N2CCNC(=O)C2)nn1
InChIInChI=1S/C10H14N6O4/c17-8-5-15(2-1-11-8)10(20)12-3-7-4-16(14-13-7)6-9(18)19/h4H,1-3,5-6H2,(H,11,17)(H,12,20)(H,18,19)
InChIKeyHZTLMYISEOMGEX-UHFFFAOYSA-N
MW282.26 g/mol
LogP-2.00
Rot. Bonds4

About 2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid

2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 115458456) has the molecular formula C10H14N6O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID115458456
Molecular FormulaC10H14N6O4
Molecular Weight282.26 g/mol
Exact Mass282.11
IUPAC Name2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)N2CCNC(=O)C2)nn1
InChIInChI=1S/C10H14N6O4/c17-8-5-15(2-1-11-8)10(20)12-3-7-4-16(14-13-7)6-9(18)19/h4H,1-3,5-6H2,(H,11,17)(H,12,20)(H,18,19)
InChIKeyHZTLMYISEOMGEX-UHFFFAOYSA-N
XLogP-2.00
TPSA129.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3,6-dihydro-2H-pyridine-1-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 114411536
2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113314016
1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]triazole-4-carboxylic acid
CID 66288894
2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458536
2-[4-[[(3-methylthiomorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458729
2-[4-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 106191620
2-[4-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 102783164
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
2-[4-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458743
4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 61183034
2-[4-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698437
2-[4-[[(1-aminocyclohexanecarbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458075

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid (CID 115458456) is 2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid is O=C(O)Cn1cc(CNC(=O)N2CCNC(=O)C2)nn1.
What is the InChIKey of 2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is HZTLMYISEOMGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O4/c17-8-5-15(2-1-11-8)10(20)12-3-7-4-16(14-13-7)6-9(18)19/h4H,1-3,5-6H2,(H,11,17)(H,12,20)(H,18,19).
What are the key properties of 2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 282.26 g/mol, XLogP of -2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115458456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).