6-chloro-5,7-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C14H13ClN4O — CID 935042

IUPAC6-chloro-5,7-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(COc3ccccc3)nn2c(C)c1Cl
InChIInChI=1S/C14H13ClN4O/c1-9-13(15)10(2)19-14(16-9)17-12(18-19)8-20-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyVPKFJJXIQLLIRN-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.97
Rot. Bonds3

About 6-chloro-5,7-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

6-chloro-5,7-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 935042) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 6-chloro-5,7-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-chloro-5,7-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID935042
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name6-chloro-5,7-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(COc3ccccc3)nn2c(C)c1Cl
InChIInChI=1S/C14H13ClN4O/c1-9-13(15)10(2)19-14(16-9)17-12(18-19)8-20-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyVPKFJJXIQLLIRN-UHFFFAOYSA-N
XLogP2.97
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Pyrimidinamine, N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethyl-
CID 666091
5,7-Dimethyl-2-[(2-phenoxyethyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidine
CID 3723312
N-(4-ethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308128
N'-[7-[1-(3-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 9632618
4,6-dimethyl-N-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]pyrimidin-2-amine
CID 935375
2-(4-Fluorophenoxy)ethyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2410779
N-(2-ethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5309013
2-(2-(4-Chlorophenoxy)ethoxy)-5,7-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidine
CID 73891137
N,N-dimethyl-N'-[7-(1-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanimidamide
CID 5901638
7-[1-(4-Chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3801739
5,7-Dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1941723
N-{6-Chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}-2-phenoxypropanamide
CID 23607340

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5,7-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-chloro-5,7-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 935042) is 6-chloro-5,7-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-chloro-5,7-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-chloro-5,7-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(COc3ccccc3)nn2c(C)c1Cl.
What is the InChIKey of 6-chloro-5,7-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VPKFJJXIQLLIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-9-13(15)10(2)19-14(16-9)17-12(18-19)8-20-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 6-chloro-5,7-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
6-chloro-5,7-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 288.74 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5,7-dimethyl-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 935042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).