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

C14H15N5OS — CID 17198557

IUPAC5-(methoxymethyl)-2-methylsulfanyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1nc2nc(SC)nn2c(N)c1-c1ccccc1
InChIInChI=1S/C14H15N5OS/c1-20-8-10-11(9-6-4-3-5-7-9)12(15)19-13(16-10)17-14(18-19)21-2/h3-7H,8,15H2,1-2H3
InChIKeyCJUIRXAXWBLOBX-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.24
Rot. Bonds4

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

5-(methoxymethyl)-2-methylsulfanyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 17198557) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-methylsulfanyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-2-methylsulfanyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID17198557
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name5-(methoxymethyl)-2-methylsulfanyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1nc2nc(SC)nn2c(N)c1-c1ccccc1
InChIInChI=1S/C14H15N5OS/c1-20-8-10-11(9-6-4-3-5-7-9)12(15)19-13(16-10)17-14(18-19)21-2/h3-7H,8,15H2,1-2H3
InChIKeyCJUIRXAXWBLOBX-UHFFFAOYSA-N
XLogP2.24
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(methoxymethyl)-2-methylsulfanyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2-methylsulfanyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(methoxymethyl)-2-methylsulfanyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 17198557) is 5-(methoxymethyl)-2-methylsulfanyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(methoxymethyl)-2-methylsulfanyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(methoxymethyl)-2-methylsulfanyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1nc2nc(SC)nn2c(N)c1-c1ccccc1.
What is the InChIKey of 5-(methoxymethyl)-2-methylsulfanyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CJUIRXAXWBLOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-20-8-10-11(9-6-4-3-5-7-9)12(15)19-13(16-10)17-14(18-19)21-2/h3-7H,8,15H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-2-methylsulfanyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-(methoxymethyl)-2-methylsulfanyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 301.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2-methylsulfanyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 17198557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).