2-[2-(2-hydroxyethyl)tetrazol-5-yl]ethanol

C5H10N4O2 — CID 20519148

IUPAC2-[2-(2-hydroxyethyl)tetrazol-5-yl]ethanol
SMILESOCCc1nnn(CCO)n1
InChIInChI=1S/C5H10N4O2/c10-3-1-5-6-8-9(7-5)2-4-11/h10-11H,1-4H2
InChIKeyXTKRPKLBTKDFJE-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.80
Rot. Bonds4

About 2-[2-(2-hydroxyethyl)tetrazol-5-yl]ethanol

2-[2-(2-hydroxyethyl)tetrazol-5-yl]ethanol (PubChem CID 20519148) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)tetrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)tetrazol-5-yl]ethanol
PubChem CID20519148
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name2-[2-(2-hydroxyethyl)tetrazol-5-yl]ethanol
SMILESOCCc1nnn(CCO)n1
InChIInChI=1S/C5H10N4O2/c10-3-1-5-6-8-9(7-5)2-4-11/h10-11H,1-4H2
InChIKeyXTKRPKLBTKDFJE-UHFFFAOYSA-N
XLogP-1.80
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)tetrazol-5-yl]ethanol?
The IUPAC name of 2-[2-(2-hydroxyethyl)tetrazol-5-yl]ethanol (CID 20519148) is 2-[2-(2-hydroxyethyl)tetrazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)tetrazol-5-yl]ethanol?
The canonical SMILES for 2-[2-(2-hydroxyethyl)tetrazol-5-yl]ethanol is OCCc1nnn(CCO)n1.
What is the InChIKey of 2-[2-(2-hydroxyethyl)tetrazol-5-yl]ethanol?
The InChIKey is XTKRPKLBTKDFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2/c10-3-1-5-6-8-9(7-5)2-4-11/h10-11H,1-4H2.
What are the key properties of 2-[2-(2-hydroxyethyl)tetrazol-5-yl]ethanol?
2-[2-(2-hydroxyethyl)tetrazol-5-yl]ethanol has a molecular weight of 158.16 g/mol, XLogP of -1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)tetrazol-5-yl]ethanol is sourced from PubChem (CID 20519148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).