2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid

C8H14N6O2 — CID 66523730

IUPAC2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid
SMILESCN1CCN(c2nnn(CC(=O)O)n2)CC1
InChIInChI=1S/C8H14N6O2/c1-12-2-4-13(5-3-12)8-9-11-14(10-8)6-7(15)16/h2-6H2,1H3,(H,15,16)
InChIKeyIPZIYQZLQPTKDJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.49
Rot. Bonds3

About 2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid

2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid (PubChem CID 66523730) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid
PubChem CID66523730
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid
SMILESCN1CCN(c2nnn(CC(=O)O)n2)CC1
InChIInChI=1S/C8H14N6O2/c1-12-2-4-13(5-3-12)8-9-11-14(10-8)6-7(15)16/h2-6H2,1H3,(H,15,16)
InChIKeyIPZIYQZLQPTKDJ-UHFFFAOYSA-N
XLogP-1.49
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid (CID 66523730) is 2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid is CN1CCN(c2nnn(CC(=O)O)n2)CC1.
What is the InChIKey of 2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid?
The InChIKey is IPZIYQZLQPTKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c1-12-2-4-13(5-3-12)8-9-11-14(10-8)6-7(15)16/h2-6H2,1H3,(H,15,16).
What are the key properties of 2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid?
2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid has a molecular weight of 226.24 g/mol, XLogP of -1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid is sourced from PubChem (CID 66523730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).