7-[1-(5-methylpyrazin-2-yl)ethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C15H22N6 — CID 136544464

IUPAC7-[1-(5-methylpyrazin-2-yl)ethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1cnc(C(C)N2CCn3c(nnc3C(C)C)C2)cn1
InChIInChI=1S/C15H22N6/c1-10(2)15-19-18-14-9-20(5-6-21(14)15)12(4)13-8-16-11(3)7-17-13/h7-8,10,12H,5-6,9H2,1-4H3
InChIKeyGRTGXIUKRLMNGI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.08
Rot. Bonds3

About 7-[1-(5-methylpyrazin-2-yl)ethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[1-(5-methylpyrazin-2-yl)ethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 136544464) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 7-[1-(5-methylpyrazin-2-yl)ethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[1-(5-methylpyrazin-2-yl)ethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID136544464
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name7-[1-(5-methylpyrazin-2-yl)ethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1cnc(C(C)N2CCn3c(nnc3C(C)C)C2)cn1
InChIInChI=1S/C15H22N6/c1-10(2)15-19-18-14-9-20(5-6-21(14)15)12(4)13-8-16-11(3)7-17-13/h7-8,10,12H,5-6,9H2,1-4H3
InChIKeyGRTGXIUKRLMNGI-UHFFFAOYSA-N
XLogP2.08
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(5-methylpyrazin-2-yl)ethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[1-(5-methylpyrazin-2-yl)ethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 136544464) is 7-[1-(5-methylpyrazin-2-yl)ethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[1-(5-methylpyrazin-2-yl)ethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[1-(5-methylpyrazin-2-yl)ethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Cc1cnc(C(C)N2CCn3c(nnc3C(C)C)C2)cn1.
What is the InChIKey of 7-[1-(5-methylpyrazin-2-yl)ethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GRTGXIUKRLMNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-10(2)15-19-18-14-9-20(5-6-21(14)15)12(4)13-8-16-11(3)7-17-13/h7-8,10,12H,5-6,9H2,1-4H3.
What are the key properties of 7-[1-(5-methylpyrazin-2-yl)ethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[1-(5-methylpyrazin-2-yl)ethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 286.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(5-methylpyrazin-2-yl)ethyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 136544464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).