3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C14H17N5S — CID 79099370

IUPAC3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NCC(C)(C)c3cccs3)nccn12
InChIInChI=1S/C14H17N5S/c1-10-17-18-13-12(15-6-7-19(10)13)16-9-14(2,3)11-5-4-8-20-11/h4-8H,9H2,1-3H3,(H,15,16)
InChIKeyORZZSGZPHFBUCP-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.88
Rot. Bonds4

About 3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 79099370) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID79099370
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NCC(C)(C)c3cccs3)nccn12
InChIInChI=1S/C14H17N5S/c1-10-17-18-13-12(15-6-7-19(10)13)16-9-14(2,3)11-5-4-8-20-11/h4-8H,9H2,1-3H3,(H,15,16)
InChIKeyORZZSGZPHFBUCP-UHFFFAOYSA-N
XLogP2.88
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 79099370) is 3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1nnc2c(NCC(C)(C)c3cccs3)nccn12.
What is the InChIKey of 3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is ORZZSGZPHFBUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-10-17-18-13-12(15-6-7-19(10)13)16-9-14(2,3)11-5-4-8-20-11/h4-8H,9H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 287.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 79099370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).