3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine

C11H16N6 — CID 65417551

IUPAC3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCCc2nncn2C)n1
InChIInChI=1S/C11H16N6/c1-8-6-13-9(2)11(15-8)12-5-4-10-16-14-7-17(10)3/h6-7H,4-5H2,1-3H3,(H,12,15)
InChIKeyUOHXLCSNGIVNFE-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.88
Rot. Bonds4

About 3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine

3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine (PubChem CID 65417551) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
PubChem CID65417551
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCCc2nncn2C)n1
InChIInChI=1S/C11H16N6/c1-8-6-13-9(2)11(15-8)12-5-4-10-16-14-7-17(10)3/h6-7H,4-5H2,1-3H3,(H,12,15)
InChIKeyUOHXLCSNGIVNFE-UHFFFAOYSA-N
XLogP0.88
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine (CID 65417551) is 3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine is Cc1cnc(C)c(NCCc2nncn2C)n1.
What is the InChIKey of 3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine?
The InChIKey is UOHXLCSNGIVNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-8-6-13-9(2)11(15-8)12-5-4-10-16-14-7-17(10)3/h6-7H,4-5H2,1-3H3,(H,12,15).
What are the key properties of 3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine?
3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 65417551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).