N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine

C10H14F3N3O — CID 80878280

IUPACN-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine
SMILESCCCNc1cncc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-3-4-15-8-5-14-6-9(16-8)17-7(2)10(11,12)13/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyAHJTZFXRJMQCKH-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.63
Rot. Bonds5

About N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine

N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine (PubChem CID 80878280) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine.

Molecular Properties

Compound NameN-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine
PubChem CID80878280
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine
SMILESCCCNc1cncc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-3-4-15-8-5-14-6-9(16-8)17-7(2)10(11,12)13/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyAHJTZFXRJMQCKH-UHFFFAOYSA-N
XLogP2.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine?
The IUPAC name of N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine (CID 80878280) is N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine.
What is the SMILES notation for N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine?
The canonical SMILES for N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine is CCCNc1cncc(OC(C)C(F)(F)F)n1.
What is the InChIKey of N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine?
The InChIKey is AHJTZFXRJMQCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-4-15-8-5-14-6-9(16-8)17-7(2)10(11,12)13/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine?
N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine has a molecular weight of 249.24 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine is sourced from PubChem (CID 80878280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).