5-cyclopentyl-2-methyltetrazole

C7H12N4 — CID 58431066

IUPAC5-cyclopentyl-2-methyltetrazole
SMILESCn1nnc(C2CCCC2)n1
InChIInChI=1S/C7H12N4/c1-11-9-7(8-10-11)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyPKFCFTDIPQPUOM-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.87
Rot. Bonds1

About 5-cyclopentyl-2-methyltetrazole

5-cyclopentyl-2-methyltetrazole (PubChem CID 58431066) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-cyclopentyl-2-methyltetrazole.

Molecular Properties

Compound Name5-cyclopentyl-2-methyltetrazole
PubChem CID58431066
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name5-cyclopentyl-2-methyltetrazole
SMILESCn1nnc(C2CCCC2)n1
InChIInChI=1S/C7H12N4/c1-11-9-7(8-10-11)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyPKFCFTDIPQPUOM-UHFFFAOYSA-N
XLogP0.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-methyltetrazole?
The IUPAC name of 5-cyclopentyl-2-methyltetrazole (CID 58431066) is 5-cyclopentyl-2-methyltetrazole.
What is the SMILES notation for 5-cyclopentyl-2-methyltetrazole?
The canonical SMILES for 5-cyclopentyl-2-methyltetrazole is Cn1nnc(C2CCCC2)n1.
What is the InChIKey of 5-cyclopentyl-2-methyltetrazole?
The InChIKey is PKFCFTDIPQPUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-11-9-7(8-10-11)6-4-2-3-5-6/h6H,2-5H2,1H3.
What are the key properties of 5-cyclopentyl-2-methyltetrazole?
5-cyclopentyl-2-methyltetrazole has a molecular weight of 152.20 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-methyltetrazole is sourced from PubChem (CID 58431066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).