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

C8H16N4O2 — CID 107048225

IUPAC3-methyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol
SMILESCCC(C)(O)C(O)Cc1nnn(C)n1
InChIInChI=1S/C8H16N4O2/c1-4-8(2,14)6(13)5-7-9-11-12(3)10-7/h6,13-14H,4-5H2,1-3H3
InChIKeyLSHNXFVAUGLKGR-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.73
Rot. Bonds4

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

3-methyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol (PubChem CID 107048225) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-methyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol.

Molecular Properties

Compound Name3-methyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol
PubChem CID107048225
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name3-methyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol
SMILESCCC(C)(O)C(O)Cc1nnn(C)n1
InChIInChI=1S/C8H16N4O2/c1-4-8(2,14)6(13)5-7-9-11-12(3)10-7/h6,13-14H,4-5H2,1-3H3
InChIKeyLSHNXFVAUGLKGR-UHFFFAOYSA-N
XLogP-0.73
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol?
The IUPAC name of 3-methyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol (CID 107048225) is 3-methyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol.
What is the SMILES notation for 3-methyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol?
The canonical SMILES for 3-methyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol is CCC(C)(O)C(O)Cc1nnn(C)n1.
What is the InChIKey of 3-methyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol?
The InChIKey is LSHNXFVAUGLKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-4-8(2,14)6(13)5-7-9-11-12(3)10-7/h6,13-14H,4-5H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol?
3-methyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol has a molecular weight of 200.24 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol is sourced from PubChem (CID 107048225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).