6-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H15N5S — CID 3227218

IUPAC6-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2ncnn2c1NCc1cccs1
InChIInChI=1S/C13H15N5S/c1-3-11-9(2)17-13-15-8-16-18(13)12(11)14-7-10-5-4-6-19-10/h4-6,8,14H,3,7H2,1-2H3
InChIKeyYZNKLZVDDQWJFE-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.67
Rot. Bonds4

About 6-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3227218) has the molecular formula C13H15N5S and a molecular weight of 273.36 g/mol. Its IUPAC name is 6-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID3227218
Molecular FormulaC13H15N5S
Molecular Weight273.36 g/mol
Exact Mass273.10
IUPAC Name6-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2ncnn2c1NCc1cccs1
InChIInChI=1S/C13H15N5S/c1-3-11-9(2)17-13-15-8-16-18(13)12(11)14-7-10-5-4-6-19-10/h4-6,8,14H,3,7H2,1-2H3
InChIKeyYZNKLZVDDQWJFE-UHFFFAOYSA-N
XLogP2.67
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 3227218) is 6-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1c(C)nc2ncnn2c1NCc1cccs1.
What is the InChIKey of 6-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YZNKLZVDDQWJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-3-11-9(2)17-13-15-8-16-18(13)12(11)14-7-10-5-4-6-19-10/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of 6-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 273.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3227218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).