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

C13H11ClN4O — CID 3801739

IUPAC7-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(Oc1ccc(Cl)cc1)c1ccnc2ncnn12
InChIInChI=1S/C13H11ClN4O/c1-9(19-11-4-2-10(14)3-5-11)12-6-7-15-13-16-8-17-18(12)13/h2-9H,1H3
InChIKeyFCEPUTGEUCVRRI-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.92
Rot. Bonds3

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

7-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3801739) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 7-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3801739
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name7-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(Oc1ccc(Cl)cc1)c1ccnc2ncnn12
InChIInChI=1S/C13H11ClN4O/c1-9(19-11-4-2-10(14)3-5-11)12-6-7-15-13-16-8-17-18(12)13/h2-9H,1H3
InChIKeyFCEPUTGEUCVRRI-UHFFFAOYSA-N
XLogP2.92
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CM-Tpmf
CID 3780244
6-Chloro-5,7-dimethyl-2-(phenoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 935042
5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 56683761
4-[1-(4-Chlorophenoxy)ethyl]pyrimidin-2-amine
CID 4271606
4-[1-(2,4-Dichlorophenoxy)ethyl]pyrimidin-2-amine
CID 4364908
4-chlorophenyl [5-(2-pyridinyl)-1H-1,2,4-triazol-3-yl]methyl ether
CID 2108987
7-{2-[(4-Chlorobenzyl)oxy]phenyl}[1,2,4]triazolo[1,5-a]pyrimidine
CID 3643887
7-[1-(2,4-Dichlorophenoxy)ethyl]-2-morpholino[1,2,4]triazolo[1,5-a]pyrimidine
CID 3713628
N'-[7-[1-(3-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 9632618
N'-{7-[1-(3-fluorophenoxy)ethyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N,N-dimethyliminoformamide
CID 9634425
(E)-N-{7-[1-(4-chloro-2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N'-methoxymethanimidamide
CID 9604998
N'-[7-[1-(4-fluorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 5909635

Frequently Asked Questions

What is the IUPAC name of 7-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3801739) is 7-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is CC(Oc1ccc(Cl)cc1)c1ccnc2ncnn12.
What is the InChIKey of 7-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FCEPUTGEUCVRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-9(19-11-4-2-10(14)3-5-11)12-6-7-15-13-16-8-17-18(12)13/h2-9H,1H3.
What are the key properties of 7-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 274.71 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3801739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).