(1R)-1-(1-methyltetrazol-5-yl)ethanol

C4H8N4O — CID 93497611

IUPAC(1R)-1-(1-methyltetrazol-5-yl)ethanol
SMILESC[C@@H](O)c1nnnn1C
InChIInChI=1S/C4H8N4O/c1-3(9)4-5-6-7-8(4)2/h3,9H,1-2H3/t3-/m1/s1
InChIKeyNKSODCMVNIIIEN-GSVOUGTGSA-N
MW128.13 g/mol
LogP-0.74
Rot. Bonds1

About (1R)-1-(1-methyltetrazol-5-yl)ethanol

(1R)-1-(1-methyltetrazol-5-yl)ethanol (PubChem CID 93497611) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is (1R)-1-(1-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(1-methyltetrazol-5-yl)ethanol
PubChem CID93497611
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name(1R)-1-(1-methyltetrazol-5-yl)ethanol
SMILESC[C@@H](O)c1nnnn1C
InChIInChI=1S/C4H8N4O/c1-3(9)4-5-6-7-8(4)2/h3,9H,1-2H3/t3-/m1/s1
InChIKeyNKSODCMVNIIIEN-GSVOUGTGSA-N
XLogP-0.74
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-methyltetrazol-5-yl)ethanol?
The IUPAC name of (1R)-1-(1-methyltetrazol-5-yl)ethanol (CID 93497611) is (1R)-1-(1-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for (1R)-1-(1-methyltetrazol-5-yl)ethanol?
The canonical SMILES for (1R)-1-(1-methyltetrazol-5-yl)ethanol is C[C@@H](O)c1nnnn1C.
What is the InChIKey of (1R)-1-(1-methyltetrazol-5-yl)ethanol?
The InChIKey is NKSODCMVNIIIEN-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H8N4O/c1-3(9)4-5-6-7-8(4)2/h3,9H,1-2H3/t3-/m1/s1.
What are the key properties of (1R)-1-(1-methyltetrazol-5-yl)ethanol?
(1R)-1-(1-methyltetrazol-5-yl)ethanol has a molecular weight of 128.13 g/mol, XLogP of -0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 93497611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).