2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid

C11H15N5O4 — CID 66290605

IUPAC2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid
SMILESCC(=O)N1CCN(C(=O)c2cn(CC(=O)O)nn2)CC1
InChIInChI=1S/C11H15N5O4/c1-8(17)14-2-4-15(5-3-14)11(20)9-6-16(13-12-9)7-10(18)19/h6H,2-5,7H2,1H3,(H,18,19)
InChIKeySUGQYNPZKPDIBZ-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.33
Rot. Bonds3

About 2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid

2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid (PubChem CID 66290605) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid
PubChem CID66290605
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid
SMILESCC(=O)N1CCN(C(=O)c2cn(CC(=O)O)nn2)CC1
InChIInChI=1S/C11H15N5O4/c1-8(17)14-2-4-15(5-3-14)11(20)9-6-16(13-12-9)7-10(18)19/h6H,2-5,7H2,1H3,(H,18,19)
InChIKeySUGQYNPZKPDIBZ-UHFFFAOYSA-N
XLogP-1.33
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(azepane-1-carbonyl)triazol-1-yl]acetic acid
CID 66288731
2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289817
2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289573
2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289815
2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid
CID 66289197
2-[4-(3-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66288752
2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66290626
2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66288121
2-[4-(2-ethylpyrrolidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66287918
2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289604
1-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021758
2-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)triazol-1-yl]acetic acid
CID 66290841

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid (CID 66290605) is 2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid is CC(=O)N1CCN(C(=O)c2cn(CC(=O)O)nn2)CC1.
What is the InChIKey of 2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid?
The InChIKey is SUGQYNPZKPDIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-8(17)14-2-4-15(5-3-14)11(20)9-6-16(13-12-9)7-10(18)19/h6H,2-5,7H2,1H3,(H,18,19).
What are the key properties of 2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid?
2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid has a molecular weight of 281.27 g/mol, XLogP of -1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 66290605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).