N-[(4-methyl-2-azabicyclo[4.2.0]octan-3-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine

C14H19F3N4 — CID 149360800

IUPACN-[(4-methyl-2-azabicyclo[4.2.0]octan-3-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESCC1CC2CCC2NC1CNc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C14H19F3N4/c1-8-4-9-2-3-10(9)21-11(8)5-19-13-7-18-12(6-20-13)14(15,16)17/h6-11,21H,2-5H2,1H3,(H,19,20)
InChIKeyYHWGHLMDHYLPPQ-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.68
Rot. Bonds3

About N-[(4-methyl-2-azabicyclo[4.2.0]octan-3-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine

N-[(4-methyl-2-azabicyclo[4.2.0]octan-3-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 149360800) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[(4-methyl-2-azabicyclo[4.2.0]octan-3-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-2-azabicyclo[4.2.0]octan-3-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID149360800
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC NameN-[(4-methyl-2-azabicyclo[4.2.0]octan-3-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESCC1CC2CCC2NC1CNc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C14H19F3N4/c1-8-4-9-2-3-10(9)21-11(8)5-19-13-7-18-12(6-20-13)14(15,16)17/h6-11,21H,2-5H2,1H3,(H,19,20)
InChIKeyYHWGHLMDHYLPPQ-UHFFFAOYSA-N
XLogP2.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-azabicyclo[4.2.0]octan-3-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[(4-methyl-2-azabicyclo[4.2.0]octan-3-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine (CID 149360800) is N-[(4-methyl-2-azabicyclo[4.2.0]octan-3-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(4-methyl-2-azabicyclo[4.2.0]octan-3-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[(4-methyl-2-azabicyclo[4.2.0]octan-3-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine is CC1CC2CCC2NC1CNc1cnc(C(F)(F)F)cn1.
What is the InChIKey of N-[(4-methyl-2-azabicyclo[4.2.0]octan-3-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is YHWGHLMDHYLPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c1-8-4-9-2-3-10(9)21-11(8)5-19-13-7-18-12(6-20-13)14(15,16)17/h6-11,21H,2-5H2,1H3,(H,19,20).
What are the key properties of N-[(4-methyl-2-azabicyclo[4.2.0]octan-3-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine?
N-[(4-methyl-2-azabicyclo[4.2.0]octan-3-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 300.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-azabicyclo[4.2.0]octan-3-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 149360800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).