2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide

C16H21N7O — CID 165415122

IUPAC2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide
SMILESCc1ncc(C)n2nc(CCc3nc(C(=O)N(C)C)cn3C)nc12
InChIInChI=1S/C16H21N7O/c1-10-8-17-11(2)15-19-13(20-23(10)15)6-7-14-18-12(9-22(14)5)16(24)21(3)4/h8-9H,6-7H2,1-5H3
InChIKeyOTUPAWGHPRNERI-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.96
Rot. Bonds4

About 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide (PubChem CID 165415122) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide
PubChem CID165415122
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide
SMILESCc1ncc(C)n2nc(CCc3nc(C(=O)N(C)C)cn3C)nc12
InChIInChI=1S/C16H21N7O/c1-10-8-17-11(2)15-19-13(20-23(10)15)6-7-14-18-12(9-22(14)5)16(24)21(3)4/h8-9H,6-7H2,1-5H3
InChIKeyOTUPAWGHPRNERI-UHFFFAOYSA-N
XLogP0.96
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide?
The IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide (CID 165415122) is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide.
What is the SMILES notation for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide?
The canonical SMILES for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide is Cc1ncc(C)n2nc(CCc3nc(C(=O)N(C)C)cn3C)nc12.
What is the InChIKey of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide?
The InChIKey is OTUPAWGHPRNERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-10-8-17-11(2)15-19-13(20-23(10)15)6-7-14-18-12(9-22(14)5)16(24)21(3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide?
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethylimidazole-4-carboxamide is sourced from PubChem (CID 165415122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).