2-(5-propan-2-yltetrazol-1-yl)ethylazanium

C6H14N5+ — CID 162510129

IUPAC2-(5-propan-2-yltetrazol-1-yl)ethylazanium
SMILESCC(C)c1nnnn1CC[NH3+]
InChIInChI=1S/C6H13N5/c1-5(2)6-8-9-10-11(6)4-3-7/h5H,3-4,7H2,1-2H3/p+1
InChIKeyUYJSVZLGWUWQRP-UHFFFAOYSA-O
MW156.21 g/mol
LogP-0.96
Rot. Bonds3

About 2-(5-propan-2-yltetrazol-1-yl)ethylazanium

2-(5-propan-2-yltetrazol-1-yl)ethylazanium (PubChem CID 162510129) has the molecular formula C6H14N5+ and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-(5-propan-2-yltetrazol-1-yl)ethylazanium.

Molecular Properties

Compound Name2-(5-propan-2-yltetrazol-1-yl)ethylazanium
PubChem CID162510129
Molecular FormulaC6H14N5+
Molecular Weight156.21 g/mol
Exact Mass156.12
IUPAC Name2-(5-propan-2-yltetrazol-1-yl)ethylazanium
SMILESCC(C)c1nnnn1CC[NH3+]
InChIInChI=1S/C6H13N5/c1-5(2)6-8-9-10-11(6)4-3-7/h5H,3-4,7H2,1-2H3/p+1
InChIKeyUYJSVZLGWUWQRP-UHFFFAOYSA-O
XLogP-0.96
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pentyl-5-propan-2-yltetrazole
CID 69031680
2-(5-propan-2-yltetrazol-1-yl)acetonitrile
CID 84759144
2-(5-propan-2-yltetrazol-1-yl)acetaldehyde
CID 91459465
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432
N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267
5-(1-chloroethyl)-1-hexyltetrazole
CID 103084541
1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine
CID 103086687
2-(5-pentan-3-yltetrazol-1-yl)ethanol
CID 84759475
1-[1-(4-methylsulfanylbutyl)tetrazol-5-yl]ethanamine
CID 103086948
1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine
CID 103085331
N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine
CID 107818243
1-(1-hexyltetrazol-5-yl)-N-methylethanamine
CID 103086260

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yltetrazol-1-yl)ethylazanium?
The IUPAC name of 2-(5-propan-2-yltetrazol-1-yl)ethylazanium (CID 162510129) is 2-(5-propan-2-yltetrazol-1-yl)ethylazanium.
What is the SMILES notation for 2-(5-propan-2-yltetrazol-1-yl)ethylazanium?
The canonical SMILES for 2-(5-propan-2-yltetrazol-1-yl)ethylazanium is CC(C)c1nnnn1CC[NH3+].
What is the InChIKey of 2-(5-propan-2-yltetrazol-1-yl)ethylazanium?
The InChIKey is UYJSVZLGWUWQRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N5/c1-5(2)6-8-9-10-11(6)4-3-7/h5H,3-4,7H2,1-2H3/p+1.
What are the key properties of 2-(5-propan-2-yltetrazol-1-yl)ethylazanium?
2-(5-propan-2-yltetrazol-1-yl)ethylazanium has a molecular weight of 156.21 g/mol, XLogP of -0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yltetrazol-1-yl)ethylazanium is sourced from PubChem (CID 162510129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).