4-(5-methyltetrazol-1-yl)butan-1-ol

C6H12N4O — CID 131200926

IUPAC4-(5-methyltetrazol-1-yl)butan-1-ol
SMILESCc1nnnn1CCCCO
InChIInChI=1S/C6H12N4O/c1-6-7-8-9-10(6)4-2-3-5-11/h11H,2-5H2,1H3
InChIKeyGXRZMOFKQXAADX-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.25
Rot. Bonds4

About 4-(5-methyltetrazol-1-yl)butan-1-ol

4-(5-methyltetrazol-1-yl)butan-1-ol (PubChem CID 131200926) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 4-(5-methyltetrazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(5-methyltetrazol-1-yl)butan-1-ol
PubChem CID131200926
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name4-(5-methyltetrazol-1-yl)butan-1-ol
SMILESCc1nnnn1CCCCO
InChIInChI=1S/C6H12N4O/c1-6-7-8-9-10(6)4-2-3-5-11/h11H,2-5H2,1H3
InChIKeyGXRZMOFKQXAADX-UHFFFAOYSA-N
XLogP-0.25
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.25
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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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyltetrazol-1-yl)butan-1-ol?
The IUPAC name of 4-(5-methyltetrazol-1-yl)butan-1-ol (CID 131200926) is 4-(5-methyltetrazol-1-yl)butan-1-ol.
What is the SMILES notation for 4-(5-methyltetrazol-1-yl)butan-1-ol?
The canonical SMILES for 4-(5-methyltetrazol-1-yl)butan-1-ol is Cc1nnnn1CCCCO.
What is the InChIKey of 4-(5-methyltetrazol-1-yl)butan-1-ol?
The InChIKey is GXRZMOFKQXAADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-6-7-8-9-10(6)4-2-3-5-11/h11H,2-5H2,1H3.
What are the key properties of 4-(5-methyltetrazol-1-yl)butan-1-ol?
4-(5-methyltetrazol-1-yl)butan-1-ol has a molecular weight of 156.19 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyltetrazol-1-yl)butan-1-ol is sourced from PubChem (CID 131200926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).