5-pyrazol-1-yl-2H-tetrazole

C4H4N6 — CID 16765278

IUPAC5-pyrazol-1-yl-2H-tetrazole
SMILESc1cnn(-c2nn[nH]n2)c1
InChIInChI=1S/C4H4N6/c1-2-5-10(3-1)4-6-8-9-7-4/h1-3H,(H,6,7,8,9)
InChIKeyOVXDRLKZVDANMJ-UHFFFAOYSA-N
MW136.12 g/mol
LogP-0.61
Rot. Bonds1

About 5-pyrazol-1-yl-2H-tetrazole

5-pyrazol-1-yl-2H-tetrazole (PubChem CID 16765278) has the molecular formula C4H4N6 and a molecular weight of 136.12 g/mol. Its IUPAC name is 5-pyrazol-1-yl-2H-tetrazole.

Molecular Properties

Compound Name5-pyrazol-1-yl-2H-tetrazole
PubChem CID16765278
Molecular FormulaC4H4N6
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name5-pyrazol-1-yl-2H-tetrazole
SMILESc1cnn(-c2nn[nH]n2)c1
InChIInChI=1S/C4H4N6/c1-2-5-10(3-1)4-6-8-9-7-4/h1-3H,(H,6,7,8,9)
InChIKeyOVXDRLKZVDANMJ-UHFFFAOYSA-N
XLogP-0.61
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyrazol-1-yl-2H-tetrazole?
The IUPAC name of 5-pyrazol-1-yl-2H-tetrazole (CID 16765278) is 5-pyrazol-1-yl-2H-tetrazole.
What is the SMILES notation for 5-pyrazol-1-yl-2H-tetrazole?
The canonical SMILES for 5-pyrazol-1-yl-2H-tetrazole is c1cnn(-c2nn[nH]n2)c1.
What is the InChIKey of 5-pyrazol-1-yl-2H-tetrazole?
The InChIKey is OVXDRLKZVDANMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6/c1-2-5-10(3-1)4-6-8-9-7-4/h1-3H,(H,6,7,8,9).
What are the key properties of 5-pyrazol-1-yl-2H-tetrazole?
5-pyrazol-1-yl-2H-tetrazole has a molecular weight of 136.12 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazol-1-yl-2H-tetrazole is sourced from PubChem (CID 16765278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).