5-(2,2-dimethylpropyl)-2-propyltetrazole

C9H18N4 — CID 69033946

IUPAC5-(2,2-dimethylpropyl)-2-propyltetrazole
SMILESCCCn1nnc(CC(C)(C)C)n1
InChIInChI=1S/C9H18N4/c1-5-6-13-11-8(10-12-13)7-9(2,3)4/h5-7H2,1-4H3
InChIKeyFOEURNHDNVBHNP-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.67
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-2-propyltetrazole

5-(2,2-dimethylpropyl)-2-propyltetrazole (PubChem CID 69033946) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-propyltetrazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-propyltetrazole
PubChem CID69033946
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name5-(2,2-dimethylpropyl)-2-propyltetrazole
SMILESCCCn1nnc(CC(C)(C)C)n1
InChIInChI=1S/C9H18N4/c1-5-6-13-11-8(10-12-13)7-9(2,3)4/h5-7H2,1-4H3
InChIKeyFOEURNHDNVBHNP-UHFFFAOYSA-N
XLogP1.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-propyltetrazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-propyltetrazole (CID 69033946) is 5-(2,2-dimethylpropyl)-2-propyltetrazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-propyltetrazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-propyltetrazole is CCCn1nnc(CC(C)(C)C)n1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-propyltetrazole?
The InChIKey is FOEURNHDNVBHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-5-6-13-11-8(10-12-13)7-9(2,3)4/h5-7H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-propyltetrazole?
5-(2,2-dimethylpropyl)-2-propyltetrazole has a molecular weight of 182.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-propyltetrazole is sourced from PubChem (CID 69033946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).