3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-ol

C10H20N4O — CID 137470687

IUPAC3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-ol
SMILESCC(C)Cn1nnc(CC(O)C(C)C)n1
InChIInChI=1S/C10H20N4O/c1-7(2)6-14-12-10(11-13-14)5-9(15)8(3)4/h7-9,15H,5-6H2,1-4H3
InChIKeyUFZYSEBWJPKPHG-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.89
Rot. Bonds5

About 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-ol

3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-ol (PubChem CID 137470687) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-ol
PubChem CID137470687
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-ol
SMILESCC(C)Cn1nnc(CC(O)C(C)C)n1
InChIInChI=1S/C10H20N4O/c1-7(2)6-14-12-10(11-13-14)5-9(15)8(3)4/h7-9,15H,5-6H2,1-4H3
InChIKeyUFZYSEBWJPKPHG-UHFFFAOYSA-N
XLogP0.89
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-ol?
The IUPAC name of 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-ol (CID 137470687) is 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-ol?
The canonical SMILES for 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-ol is CC(C)Cn1nnc(CC(O)C(C)C)n1.
What is the InChIKey of 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-ol?
The InChIKey is UFZYSEBWJPKPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-7(2)6-14-12-10(11-13-14)5-9(15)8(3)4/h7-9,15H,5-6H2,1-4H3.
What are the key properties of 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-ol?
3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-ol has a molecular weight of 212.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-2-ol is sourced from PubChem (CID 137470687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).