6,8-dichloro-5-methyl-2-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C17H14Cl2N6 — CID 165415103

IUPAC6,8-dichloro-5-methyl-2-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3nncn3-c3ccccc3)nn12
InChIInChI=1S/C17H14Cl2N6/c1-11-13(18)9-14(19)17-21-15(23-25(11)17)7-8-16-22-20-10-24(16)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyNFAZANRIAVEWCI-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.71
Rot. Bonds4

About 6,8-dichloro-5-methyl-2-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

6,8-dichloro-5-methyl-2-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165415103) has the molecular formula C17H14Cl2N6 and a molecular weight of 373.25 g/mol. Its IUPAC name is 6,8-dichloro-5-methyl-2-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6,8-dichloro-5-methyl-2-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165415103
Molecular FormulaC17H14Cl2N6
Molecular Weight373.25 g/mol
Exact Mass372.07
IUPAC Name6,8-dichloro-5-methyl-2-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3nncn3-c3ccccc3)nn12
InChIInChI=1S/C17H14Cl2N6/c1-11-13(18)9-14(19)17-21-15(23-25(11)17)7-8-16-22-20-10-24(16)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyNFAZANRIAVEWCI-UHFFFAOYSA-N
XLogP3.71
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-5,8-dimethyl-2-[(E)-2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72194628
6-Chloro-5,8-dimethyl-2-[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72704894
6,8-Dichloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72705281
6-Chloranyl-5,8-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)ethyl]-[1,2,4]triazolo[1,5-A]pyridine
CID 90033975
NS13001
CID 44472568
N-(3-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 517858
6-Chloro-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 90026630
N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741601
(E)-6-chloro-5,8-dimethyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)vinyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 90026501
N-(2-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743053
(2,4-Dichloro-phenyl)-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine
CID 1088126
5,8-Dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250985

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-5-methyl-2-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6,8-dichloro-5-methyl-2-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 165415103) is 6,8-dichloro-5-methyl-2-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6,8-dichloro-5-methyl-2-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6,8-dichloro-5-methyl-2-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(Cl)cc(Cl)c2nc(CCc3nncn3-c3ccccc3)nn12.
What is the InChIKey of 6,8-dichloro-5-methyl-2-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NFAZANRIAVEWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N6/c1-11-13(18)9-14(19)17-21-15(23-25(11)17)7-8-16-22-20-10-24(16)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 6,8-dichloro-5-methyl-2-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
6,8-dichloro-5-methyl-2-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 373.25 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-5-methyl-2-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165415103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).