5,8-dimethyl-2-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine

C17H18N8 — CID 71075555

IUPAC5,8-dimethyl-2-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(-c4cncnc4)cn3C)nc12
InChIInChI=1S/C17H18N8/c1-11-6-20-12(2)17-22-15(23-25(11)17)4-5-16-21-14(9-24(16)3)13-7-18-10-19-8-13/h6-10H,4-5H2,1-3H3
InChIKeyCLBVZQCERVMFGW-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.72
Rot. Bonds4

About 5,8-dimethyl-2-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine

5,8-dimethyl-2-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 71075555) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is 5,8-dimethyl-2-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID71075555
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name5,8-dimethyl-2-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(-c4cncnc4)cn3C)nc12
InChIInChI=1S/C17H18N8/c1-11-6-20-12(2)17-22-15(23-25(11)17)4-5-16-21-14(9-24(16)3)13-7-18-10-19-8-13/h6-10H,4-5H2,1-3H3
InChIKeyCLBVZQCERVMFGW-UHFFFAOYSA-N
XLogP1.72
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 71075555) is 5,8-dimethyl-2-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(CCc3nc(-c4cncnc4)cn3C)nc12.
What is the InChIKey of 5,8-dimethyl-2-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is CLBVZQCERVMFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8/c1-11-6-20-12(2)17-22-15(23-25(11)17)4-5-16-21-14(9-24(16)3)13-7-18-10-19-8-13/h6-10H,4-5H2,1-3H3.
What are the key properties of 5,8-dimethyl-2-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 334.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 71075555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).