N-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine

C16H22FN3 — CID 50767865

IUPACN-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine
SMILESFc1cccc(C2NCCN=C2NC2CCCCC2)c1
InChIInChI=1S/C16H22FN3/c17-13-6-4-5-12(11-13)15-16(19-10-9-18-15)20-14-7-2-1-3-8-14/h4-6,11,14-15,18H,1-3,7-10H2,(H,19,20)
InChIKeyMMRKAGFSEHWXOZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.79
Rot. Bonds2

About N-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine

N-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine (PubChem CID 50767865) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine
PubChem CID50767865
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine
SMILESFc1cccc(C2NCCN=C2NC2CCCCC2)c1
InChIInChI=1S/C16H22FN3/c17-13-6-4-5-12(11-13)15-16(19-10-9-18-15)20-14-7-2-1-3-8-14/h4-6,11,14-15,18H,1-3,7-10H2,(H,19,20)
InChIKeyMMRKAGFSEHWXOZ-UHFFFAOYSA-N
XLogP2.79
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine?
The IUPAC name of N-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine (CID 50767865) is N-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine.
What is the SMILES notation for N-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine?
The canonical SMILES for N-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine is Fc1cccc(C2NCCN=C2NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine?
The InChIKey is MMRKAGFSEHWXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c17-13-6-4-5-12(11-13)15-16(19-10-9-18-15)20-14-7-2-1-3-8-14/h4-6,11,14-15,18H,1-3,7-10H2,(H,19,20).
What are the key properties of N-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine?
N-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine has a molecular weight of 275.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine is sourced from PubChem (CID 50767865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).