3,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol

C8H16N4O — CID 107046023

IUPAC3,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol
SMILESCn1nnc(CC(O)C(C)(C)C)n1
InChIInChI=1S/C8H16N4O/c1-8(2,3)6(13)5-7-9-11-12(4)10-7/h6,13H,5H2,1-4H3
InChIKeyPFGUWDYGAMKACV-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.16
Rot. Bonds2

About 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol

3,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol (PubChem CID 107046023) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol
PubChem CID107046023
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name3,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol
SMILESCn1nnc(CC(O)C(C)(C)C)n1
InChIInChI=1S/C8H16N4O/c1-8(2,3)6(13)5-7-9-11-12(4)10-7/h6,13H,5H2,1-4H3
InChIKeyPFGUWDYGAMKACV-UHFFFAOYSA-N
XLogP0.16
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol (CID 107046023) is 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol is Cn1nnc(CC(O)C(C)(C)C)n1.
What is the InChIKey of 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol?
The InChIKey is PFGUWDYGAMKACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-8(2,3)6(13)5-7-9-11-12(4)10-7/h6,13H,5H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol?
3,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol has a molecular weight of 184.24 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol is sourced from PubChem (CID 107046023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).