1-(2-pyrazol-1-ylethyl)tetrazol-5-amine

C6H9N7 — CID 79506312

IUPAC1-(2-pyrazol-1-ylethyl)tetrazol-5-amine
SMILESNc1nnnn1CCn1cccn1
InChIInChI=1S/C6H9N7/c7-6-9-10-11-13(6)5-4-12-3-1-2-8-12/h1-3H,4-5H2,(H2,7,9,11)
InChIKeyOOLFFYFZINSWDA-UHFFFAOYSA-N
MW179.19 g/mol
LogP-0.85
Rot. Bonds3

About 1-(2-pyrazol-1-ylethyl)tetrazol-5-amine

1-(2-pyrazol-1-ylethyl)tetrazol-5-amine (PubChem CID 79506312) has the molecular formula C6H9N7 and a molecular weight of 179.19 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethyl)tetrazol-5-amine
PubChem CID79506312
Molecular FormulaC6H9N7
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name1-(2-pyrazol-1-ylethyl)tetrazol-5-amine
SMILESNc1nnnn1CCn1cccn1
InChIInChI=1S/C6H9N7/c7-6-9-10-11-13(6)5-4-12-3-1-2-8-12/h1-3H,4-5H2,(H2,7,9,11)
InChIKeyOOLFFYFZINSWDA-UHFFFAOYSA-N
XLogP-0.85
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethyl)tetrazol-5-amine?
The IUPAC name of 1-(2-pyrazol-1-ylethyl)tetrazol-5-amine (CID 79506312) is 1-(2-pyrazol-1-ylethyl)tetrazol-5-amine.
What is the SMILES notation for 1-(2-pyrazol-1-ylethyl)tetrazol-5-amine?
The canonical SMILES for 1-(2-pyrazol-1-ylethyl)tetrazol-5-amine is Nc1nnnn1CCn1cccn1.
What is the InChIKey of 1-(2-pyrazol-1-ylethyl)tetrazol-5-amine?
The InChIKey is OOLFFYFZINSWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7/c7-6-9-10-11-13(6)5-4-12-3-1-2-8-12/h1-3H,4-5H2,(H2,7,9,11).
What are the key properties of 1-(2-pyrazol-1-ylethyl)tetrazol-5-amine?
1-(2-pyrazol-1-ylethyl)tetrazol-5-amine has a molecular weight of 179.19 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylethyl)tetrazol-5-amine is sourced from PubChem (CID 79506312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).