[3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol

C16H17N5O — CID 111477782

IUPAC[3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol
SMILESCC(Nc1cccc(CO)c1)c1nnnn1-c1ccccc1
InChIInChI=1S/C16H17N5O/c1-12(17-14-7-5-6-13(10-14)11-22)16-18-19-20-21(16)15-8-3-2-4-9-15/h2-10,12,17,22H,11H2,1H3
InChIKeyUFPOYMFUVJBFLL-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.33
Rot. Bonds5

About [3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol

[3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol (PubChem CID 111477782) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is [3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol
PubChem CID111477782
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name[3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol
SMILESCC(Nc1cccc(CO)c1)c1nnnn1-c1ccccc1
InChIInChI=1S/C16H17N5O/c1-12(17-14-7-5-6-13(10-14)11-22)16-18-19-20-21(16)15-8-3-2-4-9-15/h2-10,12,17,22H,11H2,1H3
InChIKeyUFPOYMFUVJBFLL-UHFFFAOYSA-N
XLogP2.33
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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[3-[1-(2-bromophenyl)ethylamino]phenyl]methanol
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(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of [3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol?
The IUPAC name of [3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol (CID 111477782) is [3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol.
What is the SMILES notation for [3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol?
The canonical SMILES for [3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol is CC(Nc1cccc(CO)c1)c1nnnn1-c1ccccc1.
What is the InChIKey of [3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol?
The InChIKey is UFPOYMFUVJBFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-12(17-14-7-5-6-13(10-14)11-22)16-18-19-20-21(16)15-8-3-2-4-9-15/h2-10,12,17,22H,11H2,1H3.
What are the key properties of [3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol?
[3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol has a molecular weight of 295.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol is sourced from PubChem (CID 111477782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).