5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole

C14H16N8 — CID 51091387

IUPAC5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole
SMILESc1ccc(-n2nnnc2Cn2nnnc2C2CCCC2)cc1
InChIInChI=1S/C14H16N8/c1-2-8-12(9-3-1)22-13(15-17-20-22)10-21-14(16-18-19-21)11-6-4-5-7-11/h1-3,8-9,11H,4-7,10H2
InChIKeyKCLXMVQFUQWQEI-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.35
Rot. Bonds4

About 5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole

5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole (PubChem CID 51091387) has the molecular formula C14H16N8 and a molecular weight of 296.34 g/mol. Its IUPAC name is 5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole.

Molecular Properties

Compound Name5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole
PubChem CID51091387
Molecular FormulaC14H16N8
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole
SMILESc1ccc(-n2nnnc2Cn2nnnc2C2CCCC2)cc1
InChIInChI=1S/C14H16N8/c1-2-8-12(9-3-1)22-13(15-17-20-22)10-21-14(16-18-19-21)11-6-4-5-7-11/h1-3,8-9,11H,4-7,10H2
InChIKeyKCLXMVQFUQWQEI-UHFFFAOYSA-N
XLogP1.35
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
(3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410432
N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
CID 60673062
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
(2S,3aR,7aS)-1-[(1-phenyltetrazol-5-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125144052
(4aS,8aS)-4-[(1-phenyltetrazol-5-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 94032320
4-(1-benzyltetrazol-5-yl)piperidine
CID 84703981
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine
CID 120775351
(2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide
CID 95348571
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
3-[(5-cyclohexyltetrazol-1-yl)methyl]benzoic acid
CID 84759051

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole?
The IUPAC name of 5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole (CID 51091387) is 5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole.
What is the SMILES notation for 5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole?
The canonical SMILES for 5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole is c1ccc(-n2nnnc2Cn2nnnc2C2CCCC2)cc1.
What is the InChIKey of 5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole?
The InChIKey is KCLXMVQFUQWQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8/c1-2-8-12(9-3-1)22-13(15-17-20-22)10-21-14(16-18-19-21)11-6-4-5-7-11/h1-3,8-9,11H,4-7,10H2.
What are the key properties of 5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole?
5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole has a molecular weight of 296.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole is sourced from PubChem (CID 51091387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).