6-chloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindole

C14H15ClN6 — CID 170795259

IUPAC6-chloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindole
SMILESCn1cc(-n2cc(C3CNNC3)c3ccc(Cl)cc32)nn1
InChIInChI=1S/C14H15ClN6/c1-20-8-14(18-19-20)21-7-12(9-5-16-17-6-9)11-3-2-10(15)4-13(11)21/h2-4,7-9,16-17H,5-6H2,1H3
InChIKeyJBKKNJLQYQOJPJ-UHFFFAOYSA-N
MW302.77 g/mol
LogP1.60
Rot. Bonds2

About 6-chloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindole

6-chloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindole (PubChem CID 170795259) has the molecular formula C14H15ClN6 and a molecular weight of 302.77 g/mol. Its IUPAC name is 6-chloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindole.

Molecular Properties

Compound Name6-chloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindole
PubChem CID170795259
Molecular FormulaC14H15ClN6
Molecular Weight302.77 g/mol
Exact Mass302.10
IUPAC Name6-chloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindole
SMILESCn1cc(-n2cc(C3CNNC3)c3ccc(Cl)cc32)nn1
InChIInChI=1S/C14H15ClN6/c1-20-8-14(18-19-20)21-7-12(9-5-16-17-6-9)11-3-2-10(15)4-13(11)21/h2-4,7-9,16-17H,5-6H2,1H3
InChIKeyJBKKNJLQYQOJPJ-UHFFFAOYSA-N
XLogP1.60
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53374310
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 200
CID 170795249
US20230391786, Example 201
CID 170795250
US20230391786, Example 212
CID 170795252
US20230391786, Example 213
CID 170795253

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindole?
The IUPAC name of 6-chloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindole (CID 170795259) is 6-chloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindole.
What is the SMILES notation for 6-chloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindole?
The canonical SMILES for 6-chloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindole is Cn1cc(-n2cc(C3CNNC3)c3ccc(Cl)cc32)nn1.
What is the InChIKey of 6-chloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindole?
The InChIKey is JBKKNJLQYQOJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6/c1-20-8-14(18-19-20)21-7-12(9-5-16-17-6-9)11-3-2-10(15)4-13(11)21/h2-4,7-9,16-17H,5-6H2,1H3.
What are the key properties of 6-chloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindole?
6-chloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindole has a molecular weight of 302.77 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindole is sourced from PubChem (CID 170795259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).