6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine

C19H14FN7 — CID 137372437

IUPAC6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCn1nnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nccn34)cc21
InChIInChI=1S/C19H14FN7/c1-26-15-10-12(4-7-14(15)24-25-26)17-16(11-2-5-13(20)6-3-11)23-18(21)19-22-8-9-27(17)19/h2-10H,1H3,(H2,21,23)
InChIKeyFBJMHUFRIXQHAH-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.07
Rot. Bonds2

About 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine

6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 137372437) has the molecular formula C19H14FN7 and a molecular weight of 359.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID137372437
Molecular FormulaC19H14FN7
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCn1nnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nccn34)cc21
InChIInChI=1S/C19H14FN7/c1-26-15-10-12(4-7-14(15)24-25-26)17-16(11-2-5-13(20)6-3-11)23-18(21)19-22-8-9-27(17)19/h2-10H,1H3,(H2,21,23)
InChIKeyFBJMHUFRIXQHAH-UHFFFAOYSA-N
XLogP3.07
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine (CID 137372437) is 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine is Cn1nnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nccn34)cc21.
What is the InChIKey of 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is FBJMHUFRIXQHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7/c1-26-15-10-12(4-7-14(15)24-25-26)17-16(11-2-5-13(20)6-3-11)23-18(21)19-22-8-9-27(17)19/h2-10H,1H3,(H2,21,23).
What are the key properties of 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 359.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 137372437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).