2-(2H-tetrazole-5-carbonyl)piperazine-1-carbaldehyde

C7H10N6O2 — CID 54169129

IUPAC2-(2H-tetrazole-5-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCNCC1C(=O)c1nn[nH]n1
InChIInChI=1S/C7H10N6O2/c14-4-13-2-1-8-3-5(13)6(15)7-9-11-12-10-7/h4-5,8H,1-3H2,(H,9,10,11,12)
InChIKeyZCMWWXRKKCFDGI-UHFFFAOYSA-N
MW210.20 g/mol
LogP-2.19
Rot. Bonds3

About 2-(2H-tetrazole-5-carbonyl)piperazine-1-carbaldehyde

2-(2H-tetrazole-5-carbonyl)piperazine-1-carbaldehyde (PubChem CID 54169129) has the molecular formula C7H10N6O2 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-(2H-tetrazole-5-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name2-(2H-tetrazole-5-carbonyl)piperazine-1-carbaldehyde
PubChem CID54169129
Molecular FormulaC7H10N6O2
Molecular Weight210.20 g/mol
Exact Mass210.09
IUPAC Name2-(2H-tetrazole-5-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCNCC1C(=O)c1nn[nH]n1
InChIInChI=1S/C7H10N6O2/c14-4-13-2-1-8-3-5(13)6(15)7-9-11-12-10-7/h4-5,8H,1-3H2,(H,9,10,11,12)
InChIKeyZCMWWXRKKCFDGI-UHFFFAOYSA-N
XLogP-2.19
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 5-2.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazole-5-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 2-(2H-tetrazole-5-carbonyl)piperazine-1-carbaldehyde (CID 54169129) is 2-(2H-tetrazole-5-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 2-(2H-tetrazole-5-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 2-(2H-tetrazole-5-carbonyl)piperazine-1-carbaldehyde is O=CN1CCNCC1C(=O)c1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazole-5-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is ZCMWWXRKKCFDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2/c14-4-13-2-1-8-3-5(13)6(15)7-9-11-12-10-7/h4-5,8H,1-3H2,(H,9,10,11,12).
What are the key properties of 2-(2H-tetrazole-5-carbonyl)piperazine-1-carbaldehyde?
2-(2H-tetrazole-5-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 210.20 g/mol, XLogP of -2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazole-5-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 54169129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).