5-(1-phenylcyclopentyl)-2H-tetrazole

C12H14N4 — CID 63079747

IUPAC5-(1-phenylcyclopentyl)-2H-tetrazole
SMILESc1ccc(C2(c3nn[nH]n3)CCCC2)cc1
InChIInChI=1S/C12H14N4/c1-2-6-10(7-3-1)12(8-4-5-9-12)11-13-15-16-14-11/h1-3,6-7H,4-5,8-9H2,(H,13,14,15,16)
InChIKeyHWTNEZOEDNKNQI-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.06
Rot. Bonds2

About 5-(1-phenylcyclopentyl)-2H-tetrazole

5-(1-phenylcyclopentyl)-2H-tetrazole (PubChem CID 63079747) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(1-phenylcyclopentyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(1-phenylcyclopentyl)-2H-tetrazole
PubChem CID63079747
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5-(1-phenylcyclopentyl)-2H-tetrazole
SMILESc1ccc(C2(c3nn[nH]n3)CCCC2)cc1
InChIInChI=1S/C12H14N4/c1-2-6-10(7-3-1)12(8-4-5-9-12)11-13-15-16-14-11/h1-3,6-7H,4-5,8-9H2,(H,13,14,15,16)
InChIKeyHWTNEZOEDNKNQI-UHFFFAOYSA-N
XLogP2.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylcyclopentyl)-2H-tetrazole?
The IUPAC name of 5-(1-phenylcyclopentyl)-2H-tetrazole (CID 63079747) is 5-(1-phenylcyclopentyl)-2H-tetrazole.
What is the SMILES notation for 5-(1-phenylcyclopentyl)-2H-tetrazole?
The canonical SMILES for 5-(1-phenylcyclopentyl)-2H-tetrazole is c1ccc(C2(c3nn[nH]n3)CCCC2)cc1.
What is the InChIKey of 5-(1-phenylcyclopentyl)-2H-tetrazole?
The InChIKey is HWTNEZOEDNKNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-6-10(7-3-1)12(8-4-5-9-12)11-13-15-16-14-11/h1-3,6-7H,4-5,8-9H2,(H,13,14,15,16).
What are the key properties of 5-(1-phenylcyclopentyl)-2H-tetrazole?
5-(1-phenylcyclopentyl)-2H-tetrazole has a molecular weight of 214.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylcyclopentyl)-2H-tetrazole is sourced from PubChem (CID 63079747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).