1-(1-ethyltetrazol-5-yl)-3-methylbutan-1-ol

C8H16N4O — CID 137470780

IUPAC1-(1-ethyltetrazol-5-yl)-3-methylbutan-1-ol
SMILESCCn1nnnc1C(O)CC(C)C
InChIInChI=1S/C8H16N4O/c1-4-12-8(9-10-11-12)7(13)5-6(2)3/h6-7,13H,4-5H2,1-3H3
InChIKeyAIXTZDGCPLBHGH-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.77
Rot. Bonds4

About 1-(1-ethyltetrazol-5-yl)-3-methylbutan-1-ol

1-(1-ethyltetrazol-5-yl)-3-methylbutan-1-ol (PubChem CID 137470780) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(1-ethyltetrazol-5-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(1-ethyltetrazol-5-yl)-3-methylbutan-1-ol
PubChem CID137470780
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-(1-ethyltetrazol-5-yl)-3-methylbutan-1-ol
SMILESCCn1nnnc1C(O)CC(C)C
InChIInChI=1S/C8H16N4O/c1-4-12-8(9-10-11-12)7(13)5-6(2)3/h6-7,13H,4-5H2,1-3H3
InChIKeyAIXTZDGCPLBHGH-UHFFFAOYSA-N
XLogP0.77
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyltetrazol-5-yl)-3-methylbutan-1-ol?
The IUPAC name of 1-(1-ethyltetrazol-5-yl)-3-methylbutan-1-ol (CID 137470780) is 1-(1-ethyltetrazol-5-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(1-ethyltetrazol-5-yl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(1-ethyltetrazol-5-yl)-3-methylbutan-1-ol is CCn1nnnc1C(O)CC(C)C.
What is the InChIKey of 1-(1-ethyltetrazol-5-yl)-3-methylbutan-1-ol?
The InChIKey is AIXTZDGCPLBHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-4-12-8(9-10-11-12)7(13)5-6(2)3/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 1-(1-ethyltetrazol-5-yl)-3-methylbutan-1-ol?
1-(1-ethyltetrazol-5-yl)-3-methylbutan-1-ol has a molecular weight of 184.24 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyltetrazol-5-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 137470780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).