2,5-di(propan-2-yl)tetrazole

C7H14N4 — CID 21054922

IUPAC2,5-di(propan-2-yl)tetrazole
SMILESCC(C)c1nnn(C(C)C)n1
InChIInChI=1S/C7H14N4/c1-5(2)7-8-10-11(9-7)6(3)4/h5-6H,1-4H3
InChIKeyKHXNHNNUTPPNHR-UHFFFAOYSA-N
MW154.22 g/mol
LogP1.38
Rot. Bonds2

About 2,5-di(propan-2-yl)tetrazole

2,5-di(propan-2-yl)tetrazole (PubChem CID 21054922) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)tetrazole.

Molecular Properties

Compound Name2,5-di(propan-2-yl)tetrazole
PubChem CID21054922
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name2,5-di(propan-2-yl)tetrazole
SMILESCC(C)c1nnn(C(C)C)n1
InChIInChI=1S/C7H14N4/c1-5(2)7-8-10-11(9-7)6(3)4/h5-6H,1-4H3
InChIKeyKHXNHNNUTPPNHR-UHFFFAOYSA-N
XLogP1.38
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-ol
CID 84660176
3-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-ol
CID 84660177
3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol
CID 84660178
3-(2-propan-2-yltetrazol-5-yl)butanoic acid
CID 84668247
2-propan-2-yl-5-(trichloromethyl)tetrazole
CID 69030664
2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole
CID 126669266
2-(5-propan-2-yltetrazol-2-yl)ethylazanium
CID 162510105
2-(2-propan-2-yltetrazol-5-yl)acetonitrile
CID 84763253
N-methyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine
CID 84653523
5-propan-2-yl-2-(4-propan-2-ylphenyl)tetrazole
CID 59476358
3-(2-propan-2-yltetrazol-5-yl)propan-1-amine
CID 84653524
2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone
CID 84653396

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)tetrazole?
The IUPAC name of 2,5-di(propan-2-yl)tetrazole (CID 21054922) is 2,5-di(propan-2-yl)tetrazole.
What is the SMILES notation for 2,5-di(propan-2-yl)tetrazole?
The canonical SMILES for 2,5-di(propan-2-yl)tetrazole is CC(C)c1nnn(C(C)C)n1.
What is the InChIKey of 2,5-di(propan-2-yl)tetrazole?
The InChIKey is KHXNHNNUTPPNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-5(2)7-8-10-11(9-7)6(3)4/h5-6H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)tetrazole?
2,5-di(propan-2-yl)tetrazole has a molecular weight of 154.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)tetrazole is sourced from PubChem (CID 21054922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).