7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C13H10Cl2N4O — CID 3801474

IUPAC7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(Oc1ccc(Cl)cc1Cl)c1ccnc2ncnn12
InChIInChI=1S/C13H10Cl2N4O/c1-8(20-12-3-2-9(14)6-10(12)15)11-4-5-16-13-17-7-18-19(11)13/h2-8H,1H3
InChIKeyCWJSGPLPYFBOGX-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.57
Rot. Bonds3

About 7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3801474) has the molecular formula C13H10Cl2N4O and a molecular weight of 309.16 g/mol. Its IUPAC name is 7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3801474
Molecular FormulaC13H10Cl2N4O
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(Oc1ccc(Cl)cc1Cl)c1ccnc2ncnn12
InChIInChI=1S/C13H10Cl2N4O/c1-8(20-12-3-2-9(14)6-10(12)15)11-4-5-16-13-17-7-18-19(11)13/h2-8H,1H3
InChIKeyCWJSGPLPYFBOGX-UHFFFAOYSA-N
XLogP3.57
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole
CID 2766411
7-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine
CID 40815358
7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 18100702
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 7035346
5-[1-(2,4-dichlorophenoxy)ethyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82357981
7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1477544
7-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 6933812
7-[1-(2,6-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 2763509
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2368015
2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91049911

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3801474) is 7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is CC(Oc1ccc(Cl)cc1Cl)c1ccnc2ncnn12.
What is the InChIKey of 7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CWJSGPLPYFBOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O/c1-8(20-12-3-2-9(14)6-10(12)15)11-4-5-16-13-17-7-18-19(11)13/h2-8H,1H3.
What are the key properties of 7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 309.16 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3801474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).