3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine

C13H17N7S — CID 2999561

IUPAC3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
SMILESCCc1nnc(SCc2cn3c(C)cc(C)nc3n2)n1N
InChIInChI=1S/C13H17N7S/c1-4-11-17-18-13(20(11)14)21-7-10-6-19-9(3)5-8(2)15-12(19)16-10/h5-6H,4,7,14H2,1-3H3
InChIKeyHMTRHIZZEVUPCO-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.51
Rot. Bonds4

About 3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine

3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine (PubChem CID 2999561) has the molecular formula C13H17N7S and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
PubChem CID2999561
Molecular FormulaC13H17N7S
Molecular Weight303.40 g/mol
Exact Mass303.13
IUPAC Name3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
SMILESCCc1nnc(SCc2cn3c(C)cc(C)nc3n2)n1N
InChIInChI=1S/C13H17N7S/c1-4-11-17-18-13(20(11)14)21-7-10-6-19-9(3)5-8(2)15-12(19)16-10/h5-6H,4,7,14H2,1-3H3
InChIKeyHMTRHIZZEVUPCO-UHFFFAOYSA-N
XLogP1.51
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine (CID 2999561) is 3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine is CCc1nnc(SCc2cn3c(C)cc(C)nc3n2)n1N.
What is the InChIKey of 3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
The InChIKey is HMTRHIZZEVUPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7S/c1-4-11-17-18-13(20(11)14)21-7-10-6-19-9(3)5-8(2)15-12(19)16-10/h5-6H,4,7,14H2,1-3H3.
What are the key properties of 3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine has a molecular weight of 303.40 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 2999561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).