1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid

C10H17N5O2 — CID 114222990

IUPAC1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid
SMILESCCCn1nncc1N1CCNCC1C(=O)O
InChIInChI=1S/C10H17N5O2/c1-2-4-15-9(7-12-13-15)14-5-3-11-6-8(14)10(16)17/h7-8,11H,2-6H2,1H3,(H,16,17)
InChIKeyBJNPFSVFKBJXHD-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.45
Rot. Bonds4

About 1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid

1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid (PubChem CID 114222990) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid
PubChem CID114222990
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid
SMILESCCCn1nncc1N1CCNCC1C(=O)O
InChIInChI=1S/C10H17N5O2/c1-2-4-15-9(7-12-13-15)14-5-3-11-6-8(14)10(16)17/h7-8,11H,2-6H2,1H3,(H,16,17)
InChIKeyBJNPFSVFKBJXHD-UHFFFAOYSA-N
XLogP-0.45
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid?
The IUPAC name of 1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid (CID 114222990) is 1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for 1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid?
The canonical SMILES for 1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid is CCCn1nncc1N1CCNCC1C(=O)O.
What is the InChIKey of 1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid?
The InChIKey is BJNPFSVFKBJXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-4-15-9(7-12-13-15)14-5-3-11-6-8(14)10(16)17/h7-8,11H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid?
1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid has a molecular weight of 239.28 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyltriazol-4-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 114222990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).