6-(tetrazol-1-yl)hexan-1-ol

C7H14N4O — CID 139697701

IUPAC6-(tetrazol-1-yl)hexan-1-ol
SMILESOCCCCCCn1cnnn1
InChIInChI=1S/C7H14N4O/c12-6-4-2-1-3-5-11-7-8-9-10-11/h7,12H,1-6H2
InChIKeyFUNZAPWTFQCWNT-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.23
Rot. Bonds6

About 6-(tetrazol-1-yl)hexan-1-ol

6-(tetrazol-1-yl)hexan-1-ol (PubChem CID 139697701) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 6-(tetrazol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(tetrazol-1-yl)hexan-1-ol
PubChem CID139697701
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name6-(tetrazol-1-yl)hexan-1-ol
SMILESOCCCCCCn1cnnn1
InChIInChI=1S/C7H14N4O/c12-6-4-2-1-3-5-11-7-8-9-10-11/h7,12H,1-6H2
InChIKeyFUNZAPWTFQCWNT-UHFFFAOYSA-N
XLogP0.23
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1H-1,2,3,4-tetrazol-1-yl)propan-1-ol
CID 53907528
2,2-difluoro-4-(1H-1,2,3,4-tetrazol-1-yl)butan-1-ol
CID 165668258
1-(Tetrazol-1-yl)propan-1-ol
CID 53699468
4-(1H-1,2,3,4-tetrazol-1-yl)butan-1-ol
CID 53831956
5-(1H-1,2,4-triazol-1-yl)pentan-1-ol
CID 54204448
5-(1H-1,2,3,4-tetrazol-1-yl)pentan-1-ol
CID 54468065
1-(Tetrazol-1-yl)butan-1-ol
CID 54493085
1-(6-Hexoxyhexyl)tetrazole
CID 91580624
7-(1,2,4-Triazol-1-yl)heptan-1-ol
CID 46179481
6-(1,2,4-Triazol-1-yl)hexan-1-ol
CID 103801858
6-(3-amino-1H-1,2,4-triazol-1-yl)hexan-1-ol
CID 107703733
6-(1,2,4-Triazol-4-yl)hexan-1-ol
CID 107849718

Frequently Asked Questions

What is the IUPAC name of 6-(tetrazol-1-yl)hexan-1-ol?
The IUPAC name of 6-(tetrazol-1-yl)hexan-1-ol (CID 139697701) is 6-(tetrazol-1-yl)hexan-1-ol.
What is the SMILES notation for 6-(tetrazol-1-yl)hexan-1-ol?
The canonical SMILES for 6-(tetrazol-1-yl)hexan-1-ol is OCCCCCCn1cnnn1.
What is the InChIKey of 6-(tetrazol-1-yl)hexan-1-ol?
The InChIKey is FUNZAPWTFQCWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c12-6-4-2-1-3-5-11-7-8-9-10-11/h7,12H,1-6H2.
What are the key properties of 6-(tetrazol-1-yl)hexan-1-ol?
6-(tetrazol-1-yl)hexan-1-ol has a molecular weight of 170.22 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tetrazol-1-yl)hexan-1-ol is sourced from PubChem (CID 139697701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).