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

C15H18ClN7 — CID 170795257

IUPAC2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine
SMILESNCCn1cc(-n2cc(C3CNNC3)c3ccc(Cl)cc32)nn1
InChIInChI=1S/C15H18ClN7/c16-11-1-2-12-13(10-6-18-19-7-10)8-23(14(12)5-11)15-9-22(4-3-17)21-20-15/h1-2,5,8-10,18-19H,3-4,6-7,17H2
InChIKeyKKWWVUKLMUJVLU-UHFFFAOYSA-N
MW331.81 g/mol
LogP1.03
Rot. Bonds4

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

2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine (PubChem CID 170795257) has the molecular formula C15H18ClN7 and a molecular weight of 331.81 g/mol. Its IUPAC name is 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine
PubChem CID170795257
Molecular FormulaC15H18ClN7
Molecular Weight331.81 g/mol
Exact Mass331.13
IUPAC Name2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine
SMILESNCCn1cc(-n2cc(C3CNNC3)c3ccc(Cl)cc32)nn1
InChIInChI=1S/C15H18ClN7/c16-11-1-2-12-13(10-6-18-19-7-10)8-23(14(12)5-11)15-9-22(4-3-17)21-20-15/h1-2,5,8-10,18-19H,3-4,6-7,17H2
InChIKeyKKWWVUKLMUJVLU-UHFFFAOYSA-N
XLogP1.03
TPSA85.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-[5-[(4-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 142471682
3-[[5-[(4-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 142471891
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine (CID 170795257) is 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine is NCCn1cc(-n2cc(C3CNNC3)c3ccc(Cl)cc32)nn1.
What is the InChIKey of 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine?
The InChIKey is KKWWVUKLMUJVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN7/c16-11-1-2-12-13(10-6-18-19-7-10)8-23(14(12)5-11)15-9-22(4-3-17)21-20-15/h1-2,5,8-10,18-19H,3-4,6-7,17H2.
What are the key properties of 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine?
2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine has a molecular weight of 331.81 g/mol, XLogP of 1.03, 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]ethanamine is sourced from PubChem (CID 170795257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).