2-(5-phenyltetrazol-2-yl)ethanol

C9H10N4O — CID 583007

IUPAC2-(5-phenyltetrazol-2-yl)ethanol
SMILESOCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C9H10N4O/c14-7-6-13-11-9(10-12-13)8-4-2-1-3-5-8/h1-5,14H,6-7H2
InChIKeyICGDKYKEHUQCFR-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.33
Rot. Bonds3

About 2-(5-phenyltetrazol-2-yl)ethanol

2-(5-phenyltetrazol-2-yl)ethanol (PubChem CID 583007) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)ethanol
PubChem CID583007
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-(5-phenyltetrazol-2-yl)ethanol
SMILESOCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C9H10N4O/c14-7-6-13-11-9(10-12-13)8-4-2-1-3-5-8/h1-5,14H,6-7H2
InChIKeyICGDKYKEHUQCFR-UHFFFAOYSA-N
XLogP0.33
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)propanoic acid
CID 2892535
2-Benzyl-5-phenyl-2h-tetrazole
CID 285167
Ethyl (5-phenyl-2H-tetrazol-2-yl)acetate
CID 583011
2-(5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl)acetic acid
CID 701825
[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-acetic acid
CID 579001
2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetic acid
CID 1086563
2H-Tetrazole, 2-ethyl-5-phenyl-
CID 14524424
5-phenyl-1-propoxy-1H-tetrazole
CID 2219318
2-(5-Biphenyl-4-yl-tetrazol-2-yl)-ethanol
CID 10659394
Propan-2-yl 2-(5-phenyltetrazol-2-yl)acetate
CID 2902401
3-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-propionitrile
CID 591006
3-(5-phenyl-2H-tetraazol-2-yl)propanoic acid
CID 845287

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)ethanol?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)ethanol (CID 583007) is 2-(5-phenyltetrazol-2-yl)ethanol.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)ethanol?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)ethanol is OCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)ethanol?
The InChIKey is ICGDKYKEHUQCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c14-7-6-13-11-9(10-12-13)8-4-2-1-3-5-8/h1-5,14H,6-7H2.
What are the key properties of 2-(5-phenyltetrazol-2-yl)ethanol?
2-(5-phenyltetrazol-2-yl)ethanol has a molecular weight of 190.21 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)ethanol is sourced from PubChem (CID 583007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).