4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol

C9H18N4O2 — CID 107048247

IUPAC4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol
SMILESCn1nnc(CC(O)C(O)C(C)(C)C)n1
InChIInChI=1S/C9H18N4O2/c1-9(2,3)8(15)6(14)5-7-10-12-13(4)11-7/h6,8,14-15H,5H2,1-4H3
InChIKeyUXHSIBDLFAMOIP-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.48
Rot. Bonds3

About 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol

4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol (PubChem CID 107048247) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol
PubChem CID107048247
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol
SMILESCn1nnc(CC(O)C(O)C(C)(C)C)n1
InChIInChI=1S/C9H18N4O2/c1-9(2,3)8(15)6(14)5-7-10-12-13(4)11-7/h6,8,14-15H,5H2,1-4H3
InChIKeyUXHSIBDLFAMOIP-UHFFFAOYSA-N
XLogP-0.48
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol?
The IUPAC name of 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol (CID 107048247) is 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol.
What is the SMILES notation for 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol?
The canonical SMILES for 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol is Cn1nnc(CC(O)C(O)C(C)(C)C)n1.
What is the InChIKey of 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol?
The InChIKey is UXHSIBDLFAMOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-9(2,3)8(15)6(14)5-7-10-12-13(4)11-7/h6,8,14-15H,5H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol?
4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol has a molecular weight of 214.27 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol is sourced from PubChem (CID 107048247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).