2-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine

C14H20N6 — CID 165415336

IUPAC2-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine
SMILESCc1cncc(CCc2nc(N3CCCC3)nn2C)n1
InChIInChI=1S/C14H20N6/c1-11-9-15-10-12(16-11)5-6-13-17-14(18-19(13)2)20-7-3-4-8-20/h9-10H,3-8H2,1-2H3
InChIKeyPKLKLDBTHBMCOR-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.30
Rot. Bonds4

About 2-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine

2-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine (PubChem CID 165415336) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine.

Molecular Properties

Compound Name2-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine
PubChem CID165415336
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name2-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine
SMILESCc1cncc(CCc2nc(N3CCCC3)nn2C)n1
InChIInChI=1S/C14H20N6/c1-11-9-15-10-12(16-11)5-6-13-17-14(18-19(13)2)20-7-3-4-8-20/h9-10H,3-8H2,1-2H3
InChIKeyPKLKLDBTHBMCOR-UHFFFAOYSA-N
XLogP1.30
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine?
The IUPAC name of 2-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine (CID 165415336) is 2-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine.
What is the SMILES notation for 2-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine?
The canonical SMILES for 2-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine is Cc1cncc(CCc2nc(N3CCCC3)nn2C)n1.
What is the InChIKey of 2-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine?
The InChIKey is PKLKLDBTHBMCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-11-9-15-10-12(16-11)5-6-13-17-14(18-19(13)2)20-7-3-4-8-20/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine?
2-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine has a molecular weight of 272.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine is sourced from PubChem (CID 165415336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).