5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H16ClN5O2S — CID 103076779

IUPAC5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H16ClN5O2S/c1-7-8(12)16-10-14-6-15-17(10)9(7)13-5-11(2,3)20(4,18)19/h6,13H,5H2,1-4H3
InChIKeyVFPODMOXBSADGG-UHFFFAOYSA-N
MW317.80 g/mol
LogP1.32
Rot. Bonds4

About 5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076779) has the molecular formula C11H16ClN5O2S and a molecular weight of 317.80 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076779
Molecular FormulaC11H16ClN5O2S
Molecular Weight317.80 g/mol
Exact Mass317.07
IUPAC Name5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H16ClN5O2S/c1-7-8(12)16-10-14-6-15-17(10)9(7)13-5-11(2,3)20(4,18)19/h6,13H,5H2,1-4H3
InChIKeyVFPODMOXBSADGG-UHFFFAOYSA-N
XLogP1.32
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076779) is 5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VFPODMOXBSADGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2S/c1-7-8(12)16-10-14-6-15-17(10)9(7)13-5-11(2,3)20(4,18)19/h6,13H,5H2,1-4H3.
What are the key properties of 5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 317.80 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).