2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine

C15H17Cl2N7 — CID 170795254

IUPAC2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine
SMILESNCCn1cc(-n2cc(C3CNNC3)c3ccc(Cl)c(Cl)c32)nn1
InChIInChI=1S/C15H17Cl2N7/c16-12-2-1-10-11(9-5-19-20-6-9)7-24(15(10)14(12)17)13-8-23(4-3-18)22-21-13/h1-2,7-9,19-20H,3-6,18H2
InChIKeyHHBZSXOFGXAJBO-UHFFFAOYSA-N
MW366.26 g/mol
LogP1.68
Rot. Bonds4

About 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine

2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine (PubChem CID 170795254) has the molecular formula C15H17Cl2N7 and a molecular weight of 366.26 g/mol. Its IUPAC name is 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine
PubChem CID170795254
Molecular FormulaC15H17Cl2N7
Molecular Weight366.26 g/mol
Exact Mass365.09
IUPAC Name2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine
SMILESNCCn1cc(-n2cc(C3CNNC3)c3ccc(Cl)c(Cl)c32)nn1
InChIInChI=1S/C15H17Cl2N7/c16-12-2-1-10-11(9-5-19-20-6-9)7-24(15(10)14(12)17)13-8-23(4-3-18)22-21-13/h1-2,7-9,19-20H,3-6,18H2
InChIKeyHHBZSXOFGXAJBO-UHFFFAOYSA-N
XLogP1.68
TPSA85.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

US20230391786, Example 218
CID 170795255
US20230391786, Example 12
CID 170426549
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 166
CID 170795242
US20230391786, Example 191
CID 170795245
US20230391786, Example 198
CID 170795247
US20230391786, Example 199
CID 170795248
US20230391786, Example 200
CID 170795249
US20230391786, Example 212
CID 170795252

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine (CID 170795254) is 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine is NCCn1cc(-n2cc(C3CNNC3)c3ccc(Cl)c(Cl)c32)nn1.
What is the InChIKey of 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine?
The InChIKey is HHBZSXOFGXAJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N7/c16-12-2-1-10-11(9-5-19-20-6-9)7-24(15(10)14(12)17)13-8-23(4-3-18)22-21-13/h1-2,7-9,19-20H,3-6,18H2.
What are the key properties of 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine?
2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine has a molecular weight of 366.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanamine is sourced from PubChem (CID 170795254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).