6-chloro-3-(1H-pyrazol-4-yl)-1-(2H-triazol-4-yl)indole

C13H9ClN6 — CID 170426783

IUPAC6-chloro-3-(1H-pyrazol-4-yl)-1-(2H-triazol-4-yl)indole
SMILESClc1ccc2c(-c3cn[nH]c3)cn(-c3cn[nH]n3)c2c1
InChIInChI=1S/C13H9ClN6/c14-9-1-2-10-11(8-4-15-16-5-8)7-20(12(10)3-9)13-6-17-19-18-13/h1-7H,(H,15,16)(H,17,18,19)
InChIKeyPAXPIIXXCVTPRZ-UHFFFAOYSA-N
MW284.71 g/mol
LogP2.79
Rot. Bonds2

About 6-chloro-3-(1H-pyrazol-4-yl)-1-(2H-triazol-4-yl)indole

6-chloro-3-(1H-pyrazol-4-yl)-1-(2H-triazol-4-yl)indole (PubChem CID 170426783) has the molecular formula C13H9ClN6 and a molecular weight of 284.71 g/mol. Its IUPAC name is 6-chloro-3-(1H-pyrazol-4-yl)-1-(2H-triazol-4-yl)indole.

Molecular Properties

Compound Name6-chloro-3-(1H-pyrazol-4-yl)-1-(2H-triazol-4-yl)indole
PubChem CID170426783
Molecular FormulaC13H9ClN6
Molecular Weight284.71 g/mol
Exact Mass284.06
IUPAC Name6-chloro-3-(1H-pyrazol-4-yl)-1-(2H-triazol-4-yl)indole
SMILESClc1ccc2c(-c3cn[nH]c3)cn(-c3cn[nH]n3)c2c1
InChIInChI=1S/C13H9ClN6/c14-9-1-2-10-11(8-4-15-16-5-8)7-20(12(10)3-9)13-6-17-19-18-13/h1-7H,(H,15,16)(H,17,18,19)
InChIKeyPAXPIIXXCVTPRZ-UHFFFAOYSA-N
XLogP2.79
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole-Based Inhibitor, 19
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N-(3-chloro-1-ethylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
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3-[2-[5-[(4-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
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3-[[5-[(4-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
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[1-(5-Chloro-2-methylphenyl)pyrazolo[4,5-e]pyrimidin-4-yl](3-imidazolylpropyl) amine
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6-chloro-4-pyridin-3-yl-1H-pyrazolo[4,5-b]indole
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3-chloro-5-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)pyridin-2-amine
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N-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53374310
6-Chloro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
CID 121224992
US20230391786, Example 218
CID 170795255
N-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine
CID 155167823

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1H-pyrazol-4-yl)-1-(2H-triazol-4-yl)indole?
The IUPAC name of 6-chloro-3-(1H-pyrazol-4-yl)-1-(2H-triazol-4-yl)indole (CID 170426783) is 6-chloro-3-(1H-pyrazol-4-yl)-1-(2H-triazol-4-yl)indole.
What is the SMILES notation for 6-chloro-3-(1H-pyrazol-4-yl)-1-(2H-triazol-4-yl)indole?
The canonical SMILES for 6-chloro-3-(1H-pyrazol-4-yl)-1-(2H-triazol-4-yl)indole is Clc1ccc2c(-c3cn[nH]c3)cn(-c3cn[nH]n3)c2c1.
What is the InChIKey of 6-chloro-3-(1H-pyrazol-4-yl)-1-(2H-triazol-4-yl)indole?
The InChIKey is PAXPIIXXCVTPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN6/c14-9-1-2-10-11(8-4-15-16-5-8)7-20(12(10)3-9)13-6-17-19-18-13/h1-7H,(H,15,16)(H,17,18,19).
What are the key properties of 6-chloro-3-(1H-pyrazol-4-yl)-1-(2H-triazol-4-yl)indole?
6-chloro-3-(1H-pyrazol-4-yl)-1-(2H-triazol-4-yl)indole has a molecular weight of 284.71 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1H-pyrazol-4-yl)-1-(2H-triazol-4-yl)indole is sourced from PubChem (CID 170426783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).