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

C13H13FN8 — CID 97467508

IUPAC7-(5-fluoropyrimidin-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESFc1cnc(N2CCn3cc(Cn4cncn4)nc3C2)nc1
InChIInChI=1S/C13H13FN8/c14-10-3-16-13(17-4-10)21-2-1-20-5-11(19-12(20)7-21)6-22-9-15-8-18-22/h3-5,8-9H,1-2,6-7H2
InChIKeyBNCZTNHAUCURKF-UHFFFAOYSA-N
MW300.30 g/mol
LogP0.47
Rot. Bonds3

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

7-(5-fluoropyrimidin-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97467508) has the molecular formula C13H13FN8 and a molecular weight of 300.30 g/mol. Its IUPAC name is 7-(5-fluoropyrimidin-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-(5-fluoropyrimidin-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97467508
Molecular FormulaC13H13FN8
Molecular Weight300.30 g/mol
Exact Mass300.12
IUPAC Name7-(5-fluoropyrimidin-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESFc1cnc(N2CCn3cc(Cn4cncn4)nc3C2)nc1
InChIInChI=1S/C13H13FN8/c14-10-3-16-13(17-4-10)21-2-1-20-5-11(19-12(20)7-21)6-22-9-15-8-18-22/h3-5,8-9H,1-2,6-7H2
InChIKeyBNCZTNHAUCURKF-UHFFFAOYSA-N
XLogP0.47
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoropyrimidin-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-(5-fluoropyrimidin-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97467508) is 7-(5-fluoropyrimidin-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-(5-fluoropyrimidin-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-(5-fluoropyrimidin-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is Fc1cnc(N2CCn3cc(Cn4cncn4)nc3C2)nc1.
What is the InChIKey of 7-(5-fluoropyrimidin-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is BNCZTNHAUCURKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN8/c14-10-3-16-13(17-4-10)21-2-1-20-5-11(19-12(20)7-21)6-22-9-15-8-18-22/h3-5,8-9H,1-2,6-7H2.
What are the key properties of 7-(5-fluoropyrimidin-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-(5-fluoropyrimidin-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 300.30 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoropyrimidin-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97467508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).