5-(3-propan-2-yloxypropyl)-2H-tetrazole

C7H14N4O — CID 59323563

IUPAC5-(3-propan-2-yloxypropyl)-2H-tetrazole
SMILESCC(C)OCCCc1nn[nH]n1
InChIInChI=1S/C7H14N4O/c1-6(2)12-5-3-4-7-8-10-11-9-7/h6H,3-5H2,1-2H3,(H,8,9,10,11)
InChIKeyXOUKDCFOCUHHLG-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.56
Rot. Bonds5

About 5-(3-propan-2-yloxypropyl)-2H-tetrazole

5-(3-propan-2-yloxypropyl)-2H-tetrazole (PubChem CID 59323563) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 5-(3-propan-2-yloxypropyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-propan-2-yloxypropyl)-2H-tetrazole
PubChem CID59323563
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name5-(3-propan-2-yloxypropyl)-2H-tetrazole
SMILESCC(C)OCCCc1nn[nH]n1
InChIInChI=1S/C7H14N4O/c1-6(2)12-5-3-4-7-8-10-11-9-7/h6H,3-5H2,1-2H3,(H,8,9,10,11)
InChIKeyXOUKDCFOCUHHLG-UHFFFAOYSA-N
XLogP0.56
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-(3-propan-2-yloxypropyl)-2H-tetrazole?
The IUPAC name of 5-(3-propan-2-yloxypropyl)-2H-tetrazole (CID 59323563) is 5-(3-propan-2-yloxypropyl)-2H-tetrazole.
What is the SMILES notation for 5-(3-propan-2-yloxypropyl)-2H-tetrazole?
The canonical SMILES for 5-(3-propan-2-yloxypropyl)-2H-tetrazole is CC(C)OCCCc1nn[nH]n1.
What is the InChIKey of 5-(3-propan-2-yloxypropyl)-2H-tetrazole?
The InChIKey is XOUKDCFOCUHHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-6(2)12-5-3-4-7-8-10-11-9-7/h6H,3-5H2,1-2H3,(H,8,9,10,11).
What are the key properties of 5-(3-propan-2-yloxypropyl)-2H-tetrazole?
5-(3-propan-2-yloxypropyl)-2H-tetrazole has a molecular weight of 170.22 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yloxypropyl)-2H-tetrazole is sourced from PubChem (CID 59323563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).