5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C15H8Cl2N4 — CID 22440103

IUPAC5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1nc2ncnn2c(Cl)c1-c1ccc2ccccc2c1
InChIInChI=1S/C15H8Cl2N4/c16-13-12(14(17)21-15(20-13)18-8-19-21)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKeyFHXQCSLBXQWUMI-UHFFFAOYSA-N
MW315.16 g/mol
LogP4.25
Rot. Bonds1

About 5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 22440103) has the molecular formula C15H8Cl2N4 and a molecular weight of 315.16 g/mol. Its IUPAC name is 5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID22440103
Molecular FormulaC15H8Cl2N4
Molecular Weight315.16 g/mol
Exact Mass314.01
IUPAC Name5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1nc2ncnn2c(Cl)c1-c1ccc2ccccc2c1
InChIInChI=1S/C15H8Cl2N4/c16-13-12(14(17)21-15(20-13)18-8-19-21)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKeyFHXQCSLBXQWUMI-UHFFFAOYSA-N
XLogP4.25
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 22440103) is 5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1nc2ncnn2c(Cl)c1-c1ccc2ccccc2c1.
What is the InChIKey of 5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FHXQCSLBXQWUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N4/c16-13-12(14(17)21-15(20-13)18-8-19-21)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H.
What are the key properties of 5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 315.16 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 22440103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).