4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid

C8H14N6O2 — CID 67060792

IUPAC4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid
SMILESCn1nnnc1CN1CCN(C(=O)O)CC1
InChIInChI=1S/C8H14N6O2/c1-12-7(9-10-11-12)6-13-2-4-14(5-3-13)8(15)16/h2-6H2,1H3,(H,15,16)
InChIKeyMSOPRJNWRXWNKJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.99
Rot. Bonds2

About 4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid

4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid (PubChem CID 67060792) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid
PubChem CID67060792
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid
SMILESCn1nnnc1CN1CCN(C(=O)O)CC1
InChIInChI=1S/C8H14N6O2/c1-12-7(9-10-11-12)6-13-2-4-14(5-3-13)8(15)16/h2-6H2,1H3,(H,15,16)
InChIKeyMSOPRJNWRXWNKJ-UHFFFAOYSA-N
XLogP-0.99
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid (CID 67060792) is 4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid is Cn1nnnc1CN1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid?
The InChIKey is MSOPRJNWRXWNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c1-12-7(9-10-11-12)6-13-2-4-14(5-3-13)8(15)16/h2-6H2,1H3,(H,15,16).
What are the key properties of 4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid?
4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid has a molecular weight of 226.24 g/mol, XLogP of -0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyltetrazol-5-yl)methyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 67060792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).