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

C9H18N4O2 — CID 107048229

IUPAC3-ethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol
SMILESCCC(O)(CC)C(O)Cc1nnn(C)n1
InChIInChI=1S/C9H18N4O2/c1-4-9(15,5-2)7(14)6-8-10-12-13(3)11-8/h7,14-15H,4-6H2,1-3H3
InChIKeyRIRMWVCEONHQCW-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.34
Rot. Bonds5

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

3-ethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol (PubChem CID 107048229) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-ethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol.

Molecular Properties

Compound Name3-ethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol
PubChem CID107048229
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name3-ethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol
SMILESCCC(O)(CC)C(O)Cc1nnn(C)n1
InChIInChI=1S/C9H18N4O2/c1-4-9(15,5-2)7(14)6-8-10-12-13(3)11-8/h7,14-15H,4-6H2,1-3H3
InChIKeyRIRMWVCEONHQCW-UHFFFAOYSA-N
XLogP-0.34
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol?
The IUPAC name of 3-ethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol (CID 107048229) is 3-ethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol.
What is the SMILES notation for 3-ethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol?
The canonical SMILES for 3-ethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol is CCC(O)(CC)C(O)Cc1nnn(C)n1.
What is the InChIKey of 3-ethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol?
The InChIKey is RIRMWVCEONHQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-4-9(15,5-2)7(14)6-8-10-12-13(3)11-8/h7,14-15H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol?
3-ethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol has a molecular weight of 214.27 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol is sourced from PubChem (CID 107048229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).