2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol

C15H17ClN6O — CID 170795258

IUPAC2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol
SMILESOCCn1cc(-n2cc(C3CNNC3)c3ccc(Cl)cc32)nn1
InChIInChI=1S/C15H17ClN6O/c16-11-1-2-12-13(10-6-17-18-7-10)8-22(14(12)5-11)15-9-21(3-4-23)20-19-15/h1-2,5,8-10,17-18,23H,3-4,6-7H2
InChIKeySBQKIYVNODWUBG-UHFFFAOYSA-N
MW332.80 g/mol
LogP1.06
Rot. Bonds4

About 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol

2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol (PubChem CID 170795258) has the molecular formula C15H17ClN6O and a molecular weight of 332.80 g/mol. Its IUPAC name is 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol
PubChem CID170795258
Molecular FormulaC15H17ClN6O
Molecular Weight332.80 g/mol
Exact Mass332.12
IUPAC Name2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol
SMILESOCCn1cc(-n2cc(C3CNNC3)c3ccc(Cl)cc32)nn1
InChIInChI=1S/C15H17ClN6O/c16-11-1-2-12-13(10-6-17-18-7-10)8-22(14(12)5-11)15-9-21(3-4-23)20-19-15/h1-2,5,8-10,17-18,23H,3-4,6-7H2
InChIKeySBQKIYVNODWUBG-UHFFFAOYSA-N
XLogP1.06
TPSA79.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol 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 138
CID 170795235
US20230391786, Example 140
CID 170795236
US20230391786, Example 166
CID 170795242
US20230391786, Example 198
CID 170795247
US20230391786, Example 199
CID 170795248
US20230391786, Example 200
CID 170795249
US20230391786, Example 201
CID 170795250
US20230391786, Example 212
CID 170795252

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol?
The IUPAC name of 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol (CID 170795258) is 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol is OCCn1cc(-n2cc(C3CNNC3)c3ccc(Cl)cc32)nn1.
What is the InChIKey of 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol?
The InChIKey is SBQKIYVNODWUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6O/c16-11-1-2-12-13(10-6-17-18-7-10)8-22(14(12)5-11)15-9-21(3-4-23)20-19-15/h1-2,5,8-10,17-18,23H,3-4,6-7H2.
What are the key properties of 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol?
2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol has a molecular weight of 332.80 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol is sourced from PubChem (CID 170795258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).