2-[1-(2H-tetrazol-5-ylmethylamino)ethyl]benzene-1,3-diol

C10H13N5O2 — CID 107710894

IUPAC2-[1-(2H-tetrazol-5-ylmethylamino)ethyl]benzene-1,3-diol
SMILESCC(NCc1nn[nH]n1)c1c(O)cccc1O
InChIInChI=1S/C10H13N5O2/c1-6(11-5-9-12-14-15-13-9)10-7(16)3-2-4-8(10)17/h2-4,6,11,16-17H,5H2,1H3,(H,12,13,14,15)
InChIKeyGSLHXYUGEWGGSD-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.46
Rot. Bonds4

About 2-[1-(2H-tetrazol-5-ylmethylamino)ethyl]benzene-1,3-diol

2-[1-(2H-tetrazol-5-ylmethylamino)ethyl]benzene-1,3-diol (PubChem CID 107710894) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-[1-(2H-tetrazol-5-ylmethylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-(2H-tetrazol-5-ylmethylamino)ethyl]benzene-1,3-diol
PubChem CID107710894
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-[1-(2H-tetrazol-5-ylmethylamino)ethyl]benzene-1,3-diol
SMILESCC(NCc1nn[nH]n1)c1c(O)cccc1O
InChIInChI=1S/C10H13N5O2/c1-6(11-5-9-12-14-15-13-9)10-7(16)3-2-4-8(10)17/h2-4,6,11,16-17H,5H2,1H3,(H,12,13,14,15)
InChIKeyGSLHXYUGEWGGSD-UHFFFAOYSA-N
XLogP0.46
TPSA106.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine
CID 83069464
2-[1-(1,2-oxazol-5-ylmethylamino)ethyl]benzene-1,3-diol
CID 106415565
2-[1-(but-3-enylamino)ethyl]benzene-1,3-diol
CID 107711262
2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 107710311
N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 107710460
1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine
CID 112676980
2-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]benzene-1,3-diol
CID 106158212
2-(2H-tetrazol-5-ylmethylamino)butanoic acid
CID 115353295
2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106413806
2-[1-(2-ethylsulfinylethylamino)ethyl]benzene-1,3-diol
CID 107711285
1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone
CID 83705193
3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide
CID 55172421

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2H-tetrazol-5-ylmethylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-(2H-tetrazol-5-ylmethylamino)ethyl]benzene-1,3-diol (CID 107710894) is 2-[1-(2H-tetrazol-5-ylmethylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-(2H-tetrazol-5-ylmethylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-(2H-tetrazol-5-ylmethylamino)ethyl]benzene-1,3-diol is CC(NCc1nn[nH]n1)c1c(O)cccc1O.
What is the InChIKey of 2-[1-(2H-tetrazol-5-ylmethylamino)ethyl]benzene-1,3-diol?
The InChIKey is GSLHXYUGEWGGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-6(11-5-9-12-14-15-13-9)10-7(16)3-2-4-8(10)17/h2-4,6,11,16-17H,5H2,1H3,(H,12,13,14,15).
What are the key properties of 2-[1-(2H-tetrazol-5-ylmethylamino)ethyl]benzene-1,3-diol?
2-[1-(2H-tetrazol-5-ylmethylamino)ethyl]benzene-1,3-diol has a molecular weight of 235.25 g/mol, XLogP of 0.46, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2H-tetrazol-5-ylmethylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107710894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).