6-(5-methyltetrazol-1-yl)hexan-1-ol

C8H16N4O — CID 139697702

IUPAC6-(5-methyltetrazol-1-yl)hexan-1-ol
SMILESCc1nnnn1CCCCCCO
InChIInChI=1S/C8H16N4O/c1-8-9-10-11-12(8)6-4-2-3-5-7-13/h13H,2-7H2,1H3
InChIKeyCMBOLKKACAQKJB-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.53
Rot. Bonds6

About 6-(5-methyltetrazol-1-yl)hexan-1-ol

6-(5-methyltetrazol-1-yl)hexan-1-ol (PubChem CID 139697702) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 6-(5-methyltetrazol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(5-methyltetrazol-1-yl)hexan-1-ol
PubChem CID139697702
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name6-(5-methyltetrazol-1-yl)hexan-1-ol
SMILESCc1nnnn1CCCCCCO
InChIInChI=1S/C8H16N4O/c1-8-9-10-11-12(8)6-4-2-3-5-7-13/h13H,2-7H2,1H3
InChIKeyCMBOLKKACAQKJB-UHFFFAOYSA-N
XLogP0.53
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.53
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

Cilostazol Impurity N3
CID 57162499
3-(5-Methyltetrazol-1-yl)propan-1-ol
CID 18726707
2-(1-Cyclohexyltetrazol-5-yl)ethanol
CID 21460051
1-Ethyl-5-(11-methoxyundecyl)tetrazole
CID 21584541
1-[5-(2-Methylpropyl)tetrazol-1-yl]butan-1-ol
CID 130383222
4-(5-Methyltetrazol-1-yl)butan-1-ol
CID 131200926
1-(5-Ethyltetrazol-1-yl)butan-1-ol
CID 137470685
4-(5-Ethyltetrazol-1-yl)butan-1-ol
CID 139697697
6-(5-Ethyltetrazol-1-yl)hexan-1-ol
CID 139697698
3-Methyl-1-[5-(2-methylpropyl)tetrazol-1-yl]butan-1-ol
CID 140915575
2-Methyl-1-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-ol
CID 140915634
2-[1-[(1-Butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
CID 60690262

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyltetrazol-1-yl)hexan-1-ol?
The IUPAC name of 6-(5-methyltetrazol-1-yl)hexan-1-ol (CID 139697702) is 6-(5-methyltetrazol-1-yl)hexan-1-ol.
What is the SMILES notation for 6-(5-methyltetrazol-1-yl)hexan-1-ol?
The canonical SMILES for 6-(5-methyltetrazol-1-yl)hexan-1-ol is Cc1nnnn1CCCCCCO.
What is the InChIKey of 6-(5-methyltetrazol-1-yl)hexan-1-ol?
The InChIKey is CMBOLKKACAQKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-8-9-10-11-12(8)6-4-2-3-5-7-13/h13H,2-7H2,1H3.
What are the key properties of 6-(5-methyltetrazol-1-yl)hexan-1-ol?
6-(5-methyltetrazol-1-yl)hexan-1-ol has a molecular weight of 184.24 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyltetrazol-1-yl)hexan-1-ol is sourced from PubChem (CID 139697702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).