(3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine

C17H25F2N3 — CID 134299720

IUPAC(3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine
SMILESCCC/C=C1\C(N)=NC=CN1/C(=C(\C)CC)C1CC(F)(F)C1
InChIInChI=1S/C17H25F2N3/c1-4-6-7-14-16(20)21-8-9-22(14)15(12(3)5-2)13-10-17(18,19)11-13/h7-9,13H,4-6,10-11H2,1-3H3,(H2,20,21)/b14-7+,15-12+
InChIKeyGFGKTZRFCXYHMW-MCLPEHIOSA-N
MW309.40 g/mol
LogP4.54
Rot. Bonds5

About (3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine

(3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine (PubChem CID 134299720) has the molecular formula C17H25F2N3 and a molecular weight of 309.40 g/mol. Its IUPAC name is (3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine.

Molecular Properties

Compound Name(3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine
PubChem CID134299720
Molecular FormulaC17H25F2N3
Molecular Weight309.40 g/mol
Exact Mass309.20
IUPAC Name(3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine
SMILESCCC/C=C1\C(N)=NC=CN1/C(=C(\C)CC)C1CC(F)(F)C1
InChIInChI=1S/C17H25F2N3/c1-4-6-7-14-16(20)21-8-9-22(14)15(12(3)5-2)13-10-17(18,19)11-13/h7-9,13H,4-6,10-11H2,1-3H3,(H2,20,21)/b14-7+,15-12+
InChIKeyGFGKTZRFCXYHMW-MCLPEHIOSA-N
XLogP4.54
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine?
The IUPAC name of (3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine (CID 134299720) is (3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine.
What is the SMILES notation for (3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine?
The canonical SMILES for (3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine is CCC/C=C1\C(N)=NC=CN1/C(=C(\C)CC)C1CC(F)(F)C1.
What is the InChIKey of (3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine?
The InChIKey is GFGKTZRFCXYHMW-MCLPEHIOSA-N. The full InChI is InChI=1S/C17H25F2N3/c1-4-6-7-14-16(20)21-8-9-22(14)15(12(3)5-2)13-10-17(18,19)11-13/h7-9,13H,4-6,10-11H2,1-3H3,(H2,20,21)/b14-7+,15-12+.
What are the key properties of (3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine?
(3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine has a molecular weight of 309.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-butylidene-4-[(E)-1-(3,3-difluorocyclobutyl)-2-methylbut-1-enyl]pyrazin-2-amine is sourced from PubChem (CID 134299720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).