5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H14ClN5S — CID 102919020

IUPAC5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(CNc1cc(Cl)nc2ncnn12)c1cccs1
InChIInChI=1S/C13H14ClN5S/c1-13(2,9-4-3-5-20-9)7-15-11-6-10(14)18-12-16-8-17-19(11)12/h3-6,8,15H,7H2,1-2H3
InChIKeyGXKWXYYZUMYLNP-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.23
Rot. Bonds4

About 5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102919020) has the molecular formula C13H14ClN5S and a molecular weight of 307.81 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102919020
Molecular FormulaC13H14ClN5S
Molecular Weight307.81 g/mol
Exact Mass307.07
IUPAC Name5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(CNc1cc(Cl)nc2ncnn12)c1cccs1
InChIInChI=1S/C13H14ClN5S/c1-13(2,9-4-3-5-20-9)7-15-11-6-10(14)18-12-16-8-17-19(11)12/h3-6,8,15H,7H2,1-2H3
InChIKeyGXKWXYYZUMYLNP-UHFFFAOYSA-N
XLogP3.23
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102919020) is 5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(C)(CNc1cc(Cl)nc2ncnn12)c1cccs1.
What is the InChIKey of 5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GXKWXYYZUMYLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5S/c1-13(2,9-4-3-5-20-9)7-15-11-6-10(14)18-12-16-8-17-19(11)12/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 307.81 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102919020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).