1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide

C15H18N8O — CID 123455309

IUPAC1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide
SMILESCCn1cnc(C(=O)NC2CCN(c3nccn4ccnc34)C2)n1
InChIInChI=1S/C15H18N8O/c1-2-23-10-18-12(20-23)15(24)19-11-3-6-22(9-11)14-13-16-4-7-21(13)8-5-17-14/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,19,24)
InChIKeyCXAMZRRUJYYEJK-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.35
Rot. Bonds4

About 1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide

1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide (PubChem CID 123455309) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide
PubChem CID123455309
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide
SMILESCCn1cnc(C(=O)NC2CCN(c3nccn4ccnc34)C2)n1
InChIInChI=1S/C15H18N8O/c1-2-23-10-18-12(20-23)15(24)19-11-3-6-22(9-11)14-13-16-4-7-21(13)8-5-17-14/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,19,24)
InChIKeyCXAMZRRUJYYEJK-UHFFFAOYSA-N
XLogP0.35
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide (CID 123455309) is 1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide is CCn1cnc(C(=O)NC2CCN(c3nccn4ccnc34)C2)n1.
What is the InChIKey of 1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide?
The InChIKey is CXAMZRRUJYYEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-2-23-10-18-12(20-23)15(24)19-11-3-6-22(9-11)14-13-16-4-7-21(13)8-5-17-14/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,19,24).
What are the key properties of 1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide?
1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 123455309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).