2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride

C15H15Cl2N7O — CID 170426869

IUPAC2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride
SMILESCl.Nc1cc(Cl)cc2c1c(-c1cn[nH]c1)cn2-c1cn(CCO)nn1
InChIInChI=1S/C15H14ClN7O.ClH/c16-10-3-12(17)15-11(9-5-18-19-6-9)7-23(13(15)4-10)14-8-22(1-2-24)21-20-14;/h3-8,24H,1-2,17H2,(H,18,19);1H
InChIKeyIFNJVURCULGLQS-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.26
Rot. Bonds4

About 2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride

2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride (PubChem CID 170426869) has the molecular formula C15H15Cl2N7O and a molecular weight of 380.24 g/mol. Its IUPAC name is 2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride
PubChem CID170426869
Molecular FormulaC15H15Cl2N7O
Molecular Weight380.24 g/mol
Exact Mass379.07
IUPAC Name2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride
SMILESCl.Nc1cc(Cl)cc2c1c(-c1cn[nH]c1)cn2-c1cn(CCO)nn1
InChIInChI=1S/C15H14ClN7O.ClH/c16-10-3-12(17)15-11(9-5-18-19-6-9)7-23(13(15)4-10)14-8-22(1-2-24)21-20-14;/h3-8,24H,1-2,17H2,(H,18,19);1H
InChIKeyIFNJVURCULGLQS-UHFFFAOYSA-N
XLogP2.26
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20230391786, Example 172
CID 170795243
US20230391786, Example 173
CID 170795244
US20230391786, Example 218
CID 170795255
6-Chloro-3-(1H-pyrazol-4-yl)-1-(1H-triazol-4-yl)indole
CID 170426783
US20230391786, Example 34
CID 170427549
US20230391786, Example 138
CID 170795235
US20230391786, Example 140
CID 170795236
US20230391786, Example 198
CID 170795247
US20230391786, Example 199
CID 170795248
US20230391786, Example 200
CID 170795249
US20230391786, Example 201
CID 170795250
US20230391786, Example 227
CID 170795256

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride (CID 170426869) is 2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride is Cl.Nc1cc(Cl)cc2c1c(-c1cn[nH]c1)cn2-c1cn(CCO)nn1.
What is the InChIKey of 2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride?
The InChIKey is IFNJVURCULGLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN7O.ClH/c16-10-3-12(17)15-11(9-5-18-19-6-9)7-23(13(15)4-10)14-8-22(1-2-24)21-20-14;/h3-8,24H,1-2,17H2,(H,18,19);1H.
What are the key properties of 2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride?
2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride has a molecular weight of 380.24 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 170426869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).