5-pyrrol-1-yl-2H-tetrazole

C5H5N5 — CID 67857397

IUPAC5-pyrrol-1-yl-2H-tetrazole
SMILESc1ccn(-c2nn[nH]n2)c1
InChIInChI=1S/C5H5N5/c1-2-4-10(3-1)5-6-8-9-7-5/h1-4H,(H,6,7,8,9)
InChIKeyGFAVHNNCWRSTLY-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.01
Rot. Bonds1

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

5-pyrrol-1-yl-2H-tetrazole (PubChem CID 67857397) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 5-pyrrol-1-yl-2H-tetrazole.

Molecular Properties

Compound Name5-pyrrol-1-yl-2H-tetrazole
PubChem CID67857397
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name5-pyrrol-1-yl-2H-tetrazole
SMILESc1ccn(-c2nn[nH]n2)c1
InChIInChI=1S/C5H5N5/c1-2-4-10(3-1)5-6-8-9-7-5/h1-4H,(H,6,7,8,9)
InChIKeyGFAVHNNCWRSTLY-UHFFFAOYSA-N
XLogP-0.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrol-1-yl-2H-tetrazole?
The IUPAC name of 5-pyrrol-1-yl-2H-tetrazole (CID 67857397) is 5-pyrrol-1-yl-2H-tetrazole.
What is the SMILES notation for 5-pyrrol-1-yl-2H-tetrazole?
The canonical SMILES for 5-pyrrol-1-yl-2H-tetrazole is c1ccn(-c2nn[nH]n2)c1.
What is the InChIKey of 5-pyrrol-1-yl-2H-tetrazole?
The InChIKey is GFAVHNNCWRSTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c1-2-4-10(3-1)5-6-8-9-7-5/h1-4H,(H,6,7,8,9).
What are the key properties of 5-pyrrol-1-yl-2H-tetrazole?
5-pyrrol-1-yl-2H-tetrazole has a molecular weight of 135.13 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrol-1-yl-2H-tetrazole is sourced from PubChem (CID 67857397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).