3-(5-propan-2-yltetrazol-1-yl)butan-2-ol

C8H16N4O — CID 130734820

IUPAC3-(5-propan-2-yltetrazol-1-yl)butan-2-ol
SMILESCC(C)c1nnnn1C(C)C(C)O
InChIInChI=1S/C8H16N4O/c1-5(2)8-9-10-11-12(8)6(3)7(4)13/h5-7,13H,1-4H3
InChIKeyGSFQHMSYRYYRDI-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.74
Rot. Bonds3

About 3-(5-propan-2-yltetrazol-1-yl)butan-2-ol

3-(5-propan-2-yltetrazol-1-yl)butan-2-ol (PubChem CID 130734820) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(5-propan-2-yltetrazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name3-(5-propan-2-yltetrazol-1-yl)butan-2-ol
PubChem CID130734820
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name3-(5-propan-2-yltetrazol-1-yl)butan-2-ol
SMILESCC(C)c1nnnn1C(C)C(C)O
InChIInChI=1S/C8H16N4O/c1-5(2)8-9-10-11-12(8)6(3)7(4)13/h5-7,13H,1-4H3
InChIKeyGSFQHMSYRYYRDI-UHFFFAOYSA-N
XLogP0.74
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine
CID 103085466
2-(5-propan-2-yltetrazol-1-yl)hexanoic acid
CID 82226143
3-(1-methyltetrazol-5-yl)butan-2-ol
CID 63204940
(1R)-1-(1-methyltetrazol-5-yl)ethanol
CID 93497611
5-propan-2-yltetrazole-1-carbonitrile
CID 69034463
2-[5-(3-methylbutan-2-yl)tetrazol-1-yl]propanoic acid
CID 66042986
2-(5-propan-2-yltetrazol-1-yl)ethylazanium
CID 162510129
3-methyl-1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol
CID 140915575
2-(5-propan-2-yltetrazol-1-yl)acetonitrile
CID 84759144
2-(5-propan-2-yltetrazol-1-yl)acetaldehyde
CID 91459465
1-(5-ethyltetrazol-1-yl)butan-1-ol
CID 137470685
1-pentyl-5-propan-2-yltetrazole
CID 69031680

Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yltetrazol-1-yl)butan-2-ol?
The IUPAC name of 3-(5-propan-2-yltetrazol-1-yl)butan-2-ol (CID 130734820) is 3-(5-propan-2-yltetrazol-1-yl)butan-2-ol.
What is the SMILES notation for 3-(5-propan-2-yltetrazol-1-yl)butan-2-ol?
The canonical SMILES for 3-(5-propan-2-yltetrazol-1-yl)butan-2-ol is CC(C)c1nnnn1C(C)C(C)O.
What is the InChIKey of 3-(5-propan-2-yltetrazol-1-yl)butan-2-ol?
The InChIKey is GSFQHMSYRYYRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-5(2)8-9-10-11-12(8)6(3)7(4)13/h5-7,13H,1-4H3.
What are the key properties of 3-(5-propan-2-yltetrazol-1-yl)butan-2-ol?
3-(5-propan-2-yltetrazol-1-yl)butan-2-ol has a molecular weight of 184.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-yltetrazol-1-yl)butan-2-ol is sourced from PubChem (CID 130734820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).