2-(5-pentan-3-yltetrazol-1-yl)ethanol

C8H16N4O — CID 84759475

IUPAC2-(5-pentan-3-yltetrazol-1-yl)ethanol
SMILESCCC(CC)c1nnnn1CCO
InChIInChI=1S/C8H16N4O/c1-3-7(4-2)8-9-10-11-12(8)5-6-13/h7,13H,3-6H2,1-2H3
InChIKeyAQNISBQBFFNKJY-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.57
Rot. Bonds5

About 2-(5-pentan-3-yltetrazol-1-yl)ethanol

2-(5-pentan-3-yltetrazol-1-yl)ethanol (PubChem CID 84759475) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(5-pentan-3-yltetrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-pentan-3-yltetrazol-1-yl)ethanol
PubChem CID84759475
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-(5-pentan-3-yltetrazol-1-yl)ethanol
SMILESCCC(CC)c1nnnn1CCO
InChIInChI=1S/C8H16N4O/c1-3-7(4-2)8-9-10-11-12(8)5-6-13/h7,13H,3-6H2,1-2H3
InChIKeyAQNISBQBFFNKJY-UHFFFAOYSA-N
XLogP0.57
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-pentan-3-yltetrazol-1-yl)acetonitrile
CID 84759202
3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid
CID 81071652
2-[5-[[1-(2-hydroxyethyl)tetrazol-5-yl]-[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]tetrazol-1-yl]ethanol
CID 59749736
2-(1-methyltetrazol-5-yl)butan-1-amine
CID 83635435
1-pentyl-5-propan-2-yltetrazole
CID 69031680
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432
2-(5-propan-2-yltetrazol-1-yl)ethylazanium
CID 162510129
4-(5-heptan-3-yltetrazol-1-yl)-3-methylbutanoic acid
CID 81070338
2-[5-[1-[3-(2-hydroxyethyl)-2H-tetrazol-3-ium-5-yl]-3,3-bis[1-(2-hydroxyethyl)tetrazol-5-yl]propyl]tetrazol-1-yl]ethanol
CID 59749738
5-(1-chloroethyl)-1-hexyltetrazole
CID 103084541
4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid
CID 22243678
(1S)-1-(1-methyltetrazol-5-yl)propan-1-amine
CID 59036874

Frequently Asked Questions

What is the IUPAC name of 2-(5-pentan-3-yltetrazol-1-yl)ethanol?
The IUPAC name of 2-(5-pentan-3-yltetrazol-1-yl)ethanol (CID 84759475) is 2-(5-pentan-3-yltetrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-pentan-3-yltetrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-pentan-3-yltetrazol-1-yl)ethanol is CCC(CC)c1nnnn1CCO.
What is the InChIKey of 2-(5-pentan-3-yltetrazol-1-yl)ethanol?
The InChIKey is AQNISBQBFFNKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-3-7(4-2)8-9-10-11-12(8)5-6-13/h7,13H,3-6H2,1-2H3.
What are the key properties of 2-(5-pentan-3-yltetrazol-1-yl)ethanol?
2-(5-pentan-3-yltetrazol-1-yl)ethanol has a molecular weight of 184.24 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pentan-3-yltetrazol-1-yl)ethanol is sourced from PubChem (CID 84759475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).