2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid

C11H17N5O3 — CID 43521412

IUPAC2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)CCn2ccnn2)CC1
InChIInChI=1S/C11H17N5O3/c17-10(1-3-16-4-2-12-13-16)15-7-5-14(6-8-15)9-11(18)19/h2,4H,1,3,5-9H2,(H,18,19)
InChIKeyNMTJFUXFRFEMAM-UHFFFAOYSA-N
MW267.29 g/mol
LogP-1.10
Rot. Bonds5

About 2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid

2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid (PubChem CID 43521412) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid
PubChem CID43521412
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)CCn2ccnn2)CC1
InChIInChI=1S/C11H17N5O3/c17-10(1-3-16-4-2-12-13-16)15-7-5-14(6-8-15)9-11(18)19/h2,4H,1,3,5-9H2,(H,18,19)
InChIKeyNMTJFUXFRFEMAM-UHFFFAOYSA-N
XLogP-1.10
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(Triazol-1-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258889
2-[[2-(Triazol-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 113291689
1-Piperidin-1-yl-3-(triazol-1-yl)propan-1-one
CID 176931657
2-[3-(Triazol-1-yl)propanoylamino]acetic acid
CID 28789423
(2R)-2-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 28789561
(2S)-2-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 28789564
(2S)-1-[3-(triazol-1-yl)propanoyl]piperidine-2-carboxylic acid
CID 28789888
(2R)-1-[3-(triazol-1-yl)propanoyl]piperidine-2-carboxylic acid
CID 28789890
2-[Methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid
CID 28789980
2-[3-(Triazol-1-yl)propanoylamino]propanoic acid
CID 43211063
1-[3-(Triazol-1-yl)propanoyl]piperidine-2-carboxylic acid
CID 43211110
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 43417104

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid (CID 43521412) is 2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)CCn2ccnn2)CC1.
What is the InChIKey of 2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid?
The InChIKey is NMTJFUXFRFEMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c17-10(1-3-16-4-2-12-13-16)15-7-5-14(6-8-15)9-11(18)19/h2,4H,1,3,5-9H2,(H,18,19).
What are the key properties of 2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid?
2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid has a molecular weight of 267.29 g/mol, XLogP of -1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).