6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H14ClN5O — CID 17190673

IUPAC6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1nc2nc(C)nn2c(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN5O/c1-8-17-14-18-11(7-21-2)12(13(16)20(14)19-8)9-3-5-10(15)6-4-9/h3-6H,7,16H2,1-2H3
InChIKeyOLIYLDLKSGRTID-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.48
Rot. Bonds3

About 6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 17190673) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID17190673
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1nc2nc(C)nn2c(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN5O/c1-8-17-14-18-11(7-21-2)12(13(16)20(14)19-8)9-3-5-10(15)6-4-9/h3-6H,7,16H2,1-2H3
InChIKeyOLIYLDLKSGRTID-UHFFFAOYSA-N
XLogP2.48
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 17190673) is 6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1nc2nc(C)nn2c(N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OLIYLDLKSGRTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-8-17-14-18-11(7-21-2)12(13(16)20(14)19-8)9-3-5-10(15)6-4-9/h3-6H,7,16H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 303.75 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 17190673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).