5-(3,5-difluorocyclohexa-1,5-dien-1-yl)pyrazin-2-amine

C10H9F2N3 — CID 71049042

IUPAC5-(3,5-difluorocyclohexa-1,5-dien-1-yl)pyrazin-2-amine
SMILESNc1cnc(C2=CC(F)CC(F)=C2)cn1
InChIInChI=1S/C10H9F2N3/c11-7-1-6(2-8(12)3-7)9-4-15-10(13)5-14-9/h1-2,4-5,7H,3H2,(H2,13,15)
InChIKeyAHFSEENWOJNECY-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.04
Rot. Bonds1

About 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)pyrazin-2-amine

5-(3,5-difluorocyclohexa-1,5-dien-1-yl)pyrazin-2-amine (PubChem CID 71049042) has the molecular formula C10H9F2N3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(3,5-difluorocyclohexa-1,5-dien-1-yl)pyrazin-2-amine
PubChem CID71049042
Molecular FormulaC10H9F2N3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name5-(3,5-difluorocyclohexa-1,5-dien-1-yl)pyrazin-2-amine
SMILESNc1cnc(C2=CC(F)CC(F)=C2)cn1
InChIInChI=1S/C10H9F2N3/c11-7-1-6(2-8(12)3-7)9-4-15-10(13)5-14-9/h1-2,4-5,7H,3H2,(H2,13,15)
InChIKeyAHFSEENWOJNECY-UHFFFAOYSA-N
XLogP2.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)pyrazin-2-amine?
The IUPAC name of 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)pyrazin-2-amine (CID 71049042) is 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)pyrazin-2-amine?
The canonical SMILES for 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)pyrazin-2-amine is Nc1cnc(C2=CC(F)CC(F)=C2)cn1.
What is the InChIKey of 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)pyrazin-2-amine?
The InChIKey is AHFSEENWOJNECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3/c11-7-1-6(2-8(12)3-7)9-4-15-10(13)5-14-9/h1-2,4-5,7H,3H2,(H2,13,15).
What are the key properties of 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)pyrazin-2-amine?
5-(3,5-difluorocyclohexa-1,5-dien-1-yl)pyrazin-2-amine has a molecular weight of 209.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorocyclohexa-1,5-dien-1-yl)pyrazin-2-amine is sourced from PubChem (CID 71049042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).