6-phenyl-3H-pyrrolo[2,1-e]tetrazole

C10H8N4 — CID 134894920

IUPAC6-phenyl-3H-pyrrolo[2,1-e]tetrazole
SMILESc1ccc(-c2cc3nn[nH]n3c2)cc1
InChIInChI=1S/C10H8N4/c1-2-4-8(5-3-1)9-6-10-11-12-13-14(10)7-9/h1-7H,(H,11,13)
InChIKeyKHWOBYNXHMEGLH-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.72
Rot. Bonds1

About 6-phenyl-3H-pyrrolo[2,1-e]tetrazole

6-phenyl-3H-pyrrolo[2,1-e]tetrazole (PubChem CID 134894920) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 6-phenyl-3H-pyrrolo[2,1-e]tetrazole.

Molecular Properties

Compound Name6-phenyl-3H-pyrrolo[2,1-e]tetrazole
PubChem CID134894920
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name6-phenyl-3H-pyrrolo[2,1-e]tetrazole
SMILESc1ccc(-c2cc3nn[nH]n3c2)cc1
InChIInChI=1S/C10H8N4/c1-2-4-8(5-3-1)9-6-10-11-12-13-14(10)7-9/h1-7H,(H,11,13)
InChIKeyKHWOBYNXHMEGLH-UHFFFAOYSA-N
XLogP1.72
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3H-pyrrolo[2,1-e]tetrazole?
The IUPAC name of 6-phenyl-3H-pyrrolo[2,1-e]tetrazole (CID 134894920) is 6-phenyl-3H-pyrrolo[2,1-e]tetrazole.
What is the SMILES notation for 6-phenyl-3H-pyrrolo[2,1-e]tetrazole?
The canonical SMILES for 6-phenyl-3H-pyrrolo[2,1-e]tetrazole is c1ccc(-c2cc3nn[nH]n3c2)cc1.
What is the InChIKey of 6-phenyl-3H-pyrrolo[2,1-e]tetrazole?
The InChIKey is KHWOBYNXHMEGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-2-4-8(5-3-1)9-6-10-11-12-13-14(10)7-9/h1-7H,(H,11,13).
What are the key properties of 6-phenyl-3H-pyrrolo[2,1-e]tetrazole?
6-phenyl-3H-pyrrolo[2,1-e]tetrazole has a molecular weight of 184.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3H-pyrrolo[2,1-e]tetrazole is sourced from PubChem (CID 134894920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).