7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C15H17N7 — CID 97384449

IUPAC7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESc1ccc(CN2CCn3c(Cn4cncn4)cnc3C2)nc1
InChIInChI=1S/C15H17N7/c1-2-4-17-13(3-1)8-20-5-6-22-14(7-18-15(22)10-20)9-21-12-16-11-19-21/h1-4,7,11-12H,5-6,8-10H2
InChIKeyRBEUXRFEFRYIFY-UHFFFAOYSA-N
MW295.35 g/mol
LogP0.93
Rot. Bonds4

About 7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97384449) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97384449
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESc1ccc(CN2CCn3c(Cn4cncn4)cnc3C2)nc1
InChIInChI=1S/C15H17N7/c1-2-4-17-13(3-1)8-20-5-6-22-14(7-18-15(22)10-20)9-21-12-16-11-19-21/h1-4,7,11-12H,5-6,8-10H2
InChIKeyRBEUXRFEFRYIFY-UHFFFAOYSA-N
XLogP0.93
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97384449) is 7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is c1ccc(CN2CCn3c(Cn4cncn4)cnc3C2)nc1.
What is the InChIKey of 7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is RBEUXRFEFRYIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-2-4-17-13(3-1)8-20-5-6-22-14(7-18-15(22)10-20)9-21-12-16-11-19-21/h1-4,7,11-12H,5-6,8-10H2.
What are the key properties of 7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 295.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97384449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).