5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine

C16H8Cl3N5 — CID 20816924

IUPAC5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1ccc(-c2c(-c3ccncc3)nc(Cl)n3cnnc23)cc1Cl
InChIInChI=1S/C16H8Cl3N5/c17-11-2-1-10(7-12(11)18)13-14(9-3-5-20-6-4-9)22-16(19)24-8-21-23-15(13)24/h1-8H
InChIKeyQRHHZOITZSWACG-UHFFFAOYSA-N
MW376.63 g/mol
LogP4.81
Rot. Bonds2

About 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine

5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 20816924) has the molecular formula C16H8Cl3N5 and a molecular weight of 376.63 g/mol. Its IUPAC name is 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID20816924
Molecular FormulaC16H8Cl3N5
Molecular Weight376.63 g/mol
Exact Mass374.98
IUPAC Name5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1ccc(-c2c(-c3ccncc3)nc(Cl)n3cnnc23)cc1Cl
InChIInChI=1S/C16H8Cl3N5/c17-11-2-1-10(7-12(11)18)13-14(9-3-5-20-6-4-9)22-16(19)24-8-21-23-15(13)24/h1-8H
InChIKeyQRHHZOITZSWACG-UHFFFAOYSA-N
XLogP4.81
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-phenylpropane-1,2-diamine
CID 22346572
8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 23824796
8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 10173378
[5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane
CID 142245227
N-[[(2S)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 59106031
8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 146266618
8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 159854685
2-(6,8-dichloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 82060428
7-(4-fluorophenyl)-8-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazine
CID 22909019
7-(2-chloro-4-pyridinyl)-8-(3-methylphenyl)-5-piperazin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 10216239
3-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 115395215
1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene
CID 129318156

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 20816924) is 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine is Clc1ccc(-c2c(-c3ccncc3)nc(Cl)n3cnnc23)cc1Cl.
What is the InChIKey of 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is QRHHZOITZSWACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl3N5/c17-11-2-1-10(7-12(11)18)13-14(9-3-5-20-6-4-9)22-16(19)24-8-21-23-15(13)24/h1-8H.
What are the key properties of 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 376.63 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 20816924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).