3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol

C8H16N4O — CID 107045955

IUPAC3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
SMILESCCC(C)C(O)Cc1nnn(C)n1
InChIInChI=1S/C8H16N4O/c1-4-6(2)7(13)5-8-9-11-12(3)10-8/h6-7,13H,4-5H2,1-3H3
InChIKeyQMMOGXLBSYHVLM-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.16
Rot. Bonds4

About 3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol

3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol (PubChem CID 107045955) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
PubChem CID107045955
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
SMILESCCC(C)C(O)Cc1nnn(C)n1
InChIInChI=1S/C8H16N4O/c1-4-6(2)7(13)5-8-9-11-12(3)10-8/h6-7,13H,4-5H2,1-3H3
InChIKeyQMMOGXLBSYHVLM-UHFFFAOYSA-N
XLogP0.16
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.16
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-methyltetrazol-5-yl)pentan-2-ol?
The IUPAC name of 3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol (CID 107045955) is 3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol.
What is the SMILES notation for 3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The canonical SMILES for 3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol is CCC(C)C(O)Cc1nnn(C)n1.
What is the InChIKey of 3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The InChIKey is QMMOGXLBSYHVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-4-6(2)7(13)5-8-9-11-12(3)10-8/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol has a molecular weight of 184.24 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol is sourced from PubChem (CID 107045955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).