5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

C13H15N7S — CID 71861366

IUPAC5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCc1nc2ncnn2c(N2CCc3nc(N)sc3C2)c1C
InChIInChI=1S/C13H15N7S/c1-7-8(2)17-13-15-6-16-20(13)11(7)19-4-3-9-10(5-19)21-12(14)18-9/h6H,3-5H2,1-2H3,(H2,14,18)
InChIKeyKLFVPNVYUPMBTN-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.34
Rot. Bonds1

About 5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 71861366) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is 5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound Name5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID71861366
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCc1nc2ncnn2c(N2CCc3nc(N)sc3C2)c1C
InChIInChI=1S/C13H15N7S/c1-7-8(2)17-13-15-6-16-20(13)11(7)19-4-3-9-10(5-19)21-12(14)18-9/h6H,3-5H2,1-2H3,(H2,14,18)
InChIKeyKLFVPNVYUPMBTN-UHFFFAOYSA-N
XLogP1.34
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of 5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 71861366) is 5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for 5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for 5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is Cc1nc2ncnn2c(N2CCc3nc(N)sc3C2)c1C.
What is the InChIKey of 5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is KLFVPNVYUPMBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c1-7-8(2)17-13-15-6-16-20(13)11(7)19-4-3-9-10(5-19)21-12(14)18-9/h6H,3-5H2,1-2H3,(H2,14,18).
What are the key properties of 5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 301.38 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 71861366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).