5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H19N5OS — CID 133356711

IUPAC5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(N(C)C(C)Cc2ccsc2)n2ncnc2n1
InChIInChI=1S/C15H19N5OS/c1-11(6-12-4-5-22-9-12)19(2)14-7-13(8-21-3)18-15-16-10-17-20(14)15/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyNLARCQFJFFXRRX-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.40
Rot. Bonds6

About 5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133356711) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133356711
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(N(C)C(C)Cc2ccsc2)n2ncnc2n1
InChIInChI=1S/C15H19N5OS/c1-11(6-12-4-5-22-9-12)19(2)14-7-13(8-21-3)18-15-16-10-17-20(14)15/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyNLARCQFJFFXRRX-UHFFFAOYSA-N
XLogP2.40
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356751
2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol
CID 100672955
5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71888237
N-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133431042
5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 130626781
2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 115765238
5-(methoxymethyl)-N-methyl-N-(1-phenylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133315989
N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 16767887
5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133377071
ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133465187
1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol
CID 105109200
1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
CID 133314695

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133356711) is 5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1cc(N(C)C(C)Cc2ccsc2)n2ncnc2n1.
What is the InChIKey of 5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NLARCQFJFFXRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11(6-12-4-5-22-9-12)19(2)14-7-13(8-21-3)18-15-16-10-17-20(14)15/h4-5,7,9-11H,6,8H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 317.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133356711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).