(2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol

C10H12ClN5O — CID 159173257

IUPAC(2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol
SMILESCn1nnnc1-c1cc([C@H](N)CO)ccc1Cl
InChIInChI=1S/C10H12ClN5O/c1-16-10(13-14-15-16)7-4-6(9(12)5-17)2-3-8(7)11/h2-4,9,17H,5,12H2,1H3/t9-/m1/s1
InChIKeyOSMCKXOMDFLNQM-SECBINFHSA-N
MW253.69 g/mol
LogP0.52
Rot. Bonds3

About (2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol

(2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol (PubChem CID 159173257) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol
PubChem CID159173257
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name(2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol
SMILESCn1nnnc1-c1cc([C@H](N)CO)ccc1Cl
InChIInChI=1S/C10H12ClN5O/c1-16-10(13-14-15-16)7-4-6(9(12)5-17)2-3-8(7)11/h2-4,9,17H,5,12H2,1H3/t9-/m1/s1
InChIKeyOSMCKXOMDFLNQM-SECBINFHSA-N
XLogP0.52
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol (CID 159173257) is (2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol is Cn1nnnc1-c1cc([C@H](N)CO)ccc1Cl.
What is the InChIKey of (2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol?
The InChIKey is OSMCKXOMDFLNQM-SECBINFHSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-16-10(13-14-15-16)7-4-6(9(12)5-17)2-3-8(7)11/h2-4,9,17H,5,12H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol?
(2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol has a molecular weight of 253.69 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol is sourced from PubChem (CID 159173257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).