1-(tetrazol-1-yl)butan-1-ol

C5H10N4O — CID 54493085

IUPAC1-(tetrazol-1-yl)butan-1-ol
SMILESCCCC(O)n1cnnn1
InChIInChI=1S/C5H10N4O/c1-2-3-5(10)9-4-6-7-8-9/h4-5,10H,2-3H2,1H3
InChIKeyHQCXKMWTTIADIY-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.04
Rot. Bonds3

About 1-(tetrazol-1-yl)butan-1-ol

1-(tetrazol-1-yl)butan-1-ol (PubChem CID 54493085) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-(tetrazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name1-(tetrazol-1-yl)butan-1-ol
PubChem CID54493085
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name1-(tetrazol-1-yl)butan-1-ol
SMILESCCCC(O)n1cnnn1
InChIInChI=1S/C5H10N4O/c1-2-3-5(10)9-4-6-7-8-9/h4-5,10H,2-3H2,1H3
InChIKeyHQCXKMWTTIADIY-UHFFFAOYSA-N
XLogP-0.04
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(tetrazol-1-yl)butan-1-ol?
The IUPAC name of 1-(tetrazol-1-yl)butan-1-ol (CID 54493085) is 1-(tetrazol-1-yl)butan-1-ol.
What is the SMILES notation for 1-(tetrazol-1-yl)butan-1-ol?
The canonical SMILES for 1-(tetrazol-1-yl)butan-1-ol is CCCC(O)n1cnnn1.
What is the InChIKey of 1-(tetrazol-1-yl)butan-1-ol?
The InChIKey is HQCXKMWTTIADIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-2-3-5(10)9-4-6-7-8-9/h4-5,10H,2-3H2,1H3.
What are the key properties of 1-(tetrazol-1-yl)butan-1-ol?
1-(tetrazol-1-yl)butan-1-ol has a molecular weight of 142.16 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tetrazol-1-yl)butan-1-ol is sourced from PubChem (CID 54493085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).