2-amino-2-[4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethanol;hydrochloride

C11H14Cl2N4O — CID 138732917

IUPAC2-amino-2-[4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethanol;hydrochloride
SMILESCc1ncn(-c2cc(C(N)CO)ccc2Cl)n1.Cl
InChIInChI=1S/C11H13ClN4O.ClH/c1-7-14-6-16(15-7)11-4-8(10(13)5-17)2-3-9(11)12;/h2-4,6,10,17H,5,13H2,1H3;1H
InChIKeyHFSUIAUUNRSYES-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.64
Rot. Bonds3

About 2-amino-2-[4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethanol;hydrochloride

2-amino-2-[4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethanol;hydrochloride (PubChem CID 138732917) has the molecular formula C11H14Cl2N4O and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-amino-2-[4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-[4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethanol;hydrochloride
PubChem CID138732917
Molecular FormulaC11H14Cl2N4O
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name2-amino-2-[4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethanol;hydrochloride
SMILESCc1ncn(-c2cc(C(N)CO)ccc2Cl)n1.Cl
InChIInChI=1S/C11H13ClN4O.ClH/c1-7-14-6-16(15-7)11-4-8(10(13)5-17)2-3-9(11)12;/h2-4,6,10,17H,5,13H2,1H3;1H
InChIKeyHFSUIAUUNRSYES-UHFFFAOYSA-N
XLogP1.64
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethanol;hydrochloride?
The IUPAC name of 2-amino-2-[4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethanol;hydrochloride (CID 138732917) is 2-amino-2-[4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethanol;hydrochloride.
What is the SMILES notation for 2-amino-2-[4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethanol;hydrochloride?
The canonical SMILES for 2-amino-2-[4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethanol;hydrochloride is Cc1ncn(-c2cc(C(N)CO)ccc2Cl)n1.Cl.
What is the InChIKey of 2-amino-2-[4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethanol;hydrochloride?
The InChIKey is HFSUIAUUNRSYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O.ClH/c1-7-14-6-16(15-7)11-4-8(10(13)5-17)2-3-9(11)12;/h2-4,6,10,17H,5,13H2,1H3;1H.
What are the key properties of 2-amino-2-[4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethanol;hydrochloride?
2-amino-2-[4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethanol;hydrochloride has a molecular weight of 289.17 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-chloro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 138732917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).