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

C9H18N4O — CID 107045737

IUPAC2,3-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
SMILESCCC(C)C(C)(O)Cc1nnn(C)n1
InChIInChI=1S/C9H18N4O/c1-5-7(2)9(3,14)6-8-10-12-13(4)11-8/h7,14H,5-6H2,1-4H3
InChIKeyXBIRKBMDAQHWHN-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.55
Rot. Bonds4

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

2,3-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol (PubChem CID 107045737) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
PubChem CID107045737
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2,3-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
SMILESCCC(C)C(C)(O)Cc1nnn(C)n1
InChIInChI=1S/C9H18N4O/c1-5-7(2)9(3,14)6-8-10-12-13(4)11-8/h7,14H,5-6H2,1-4H3
InChIKeyXBIRKBMDAQHWHN-UHFFFAOYSA-N
XLogP0.55
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol (CID 107045737) is 2,3-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol is CCC(C)C(C)(O)Cc1nnn(C)n1.
What is the InChIKey of 2,3-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The InChIKey is XBIRKBMDAQHWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-5-7(2)9(3,14)6-8-10-12-13(4)11-8/h7,14H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
2,3-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol is sourced from PubChem (CID 107045737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).