7-[2-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C18H13ClN4O — CID 3643887

IUPAC7-[2-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccc(COc2ccccc2-c2ccnc3ncnn23)cc1
InChIInChI=1S/C18H13ClN4O/c19-14-7-5-13(6-8-14)11-24-17-4-2-1-3-15(17)16-9-10-20-18-21-12-22-23(16)18/h1-10,12H,11H2
InChIKeyFGUCJMRKVDKWBH-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.02
Rot. Bonds4

About 7-[2-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

7-[2-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3643887) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 7-[2-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[2-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3643887
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name7-[2-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccc(COc2ccccc2-c2ccnc3ncnn23)cc1
InChIInChI=1S/C18H13ClN4O/c19-14-7-5-13(6-8-14)11-24-17-4-2-1-3-15(17)16-9-10-20-18-21-12-22-23(16)18/h1-10,12H,11H2
InChIKeyFGUCJMRKVDKWBH-UHFFFAOYSA-N
XLogP4.02
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
7-(4-Phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1476968
CM-Tpmf
CID 3780244
3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
CID 3692931
5-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 3701632
3-Fluoropropyl 4-[1,2,4]triazolo[1,5-a]pyrimidin-7-ylphenyl ether
CID 3725345
7-{2-[(4-Fluorobenzyl)oxy]phenyl}[1,2,4]triazolo[1,5-a]pyrimidine
CID 3844416
5-(4-Methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 661730
7-(4-Methoxyphenyl)-2-(4-morpholinyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 1476924
2-(Methylsulfanyl)-7-(4-phenoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 1482341
4-(2-Ethoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767125
4-Chloro-6-[4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 164625093

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[2-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3643887) is 7-[2-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[2-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[2-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1ccc(COc2ccccc2-c2ccnc3ncnn23)cc1.
What is the InChIKey of 7-[2-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FGUCJMRKVDKWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c19-14-7-5-13(6-8-14)11-24-17-4-2-1-3-15(17)16-9-10-20-18-21-12-22-23(16)18/h1-10,12H,11H2.
What are the key properties of 7-[2-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[2-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 336.78 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3643887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).