N-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine

C14H19F3N4 — CID 107380965

IUPACN-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CC=C(C(F)(F)F)CC2)cn1
InChIInChI=1S/C14H19F3N4/c1-2-5-18-8-12-9-20-13(10-19-12)21-6-3-11(4-7-21)14(15,16)17/h3,9-10,18H,2,4-8H2,1H3
InChIKeyJQAHBXAAZAPPLD-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.67
Rot. Bonds5

About N-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine

N-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 107380965) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine
PubChem CID107380965
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC NameN-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CC=C(C(F)(F)F)CC2)cn1
InChIInChI=1S/C14H19F3N4/c1-2-5-18-8-12-9-20-13(10-19-12)21-6-3-11(4-7-21)14(15,16)17/h3,9-10,18H,2,4-8H2,1H3
InChIKeyJQAHBXAAZAPPLD-UHFFFAOYSA-N
XLogP2.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine (CID 107380965) is N-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cnc(N2CC=C(C(F)(F)F)CC2)cn1.
What is the InChIKey of N-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is JQAHBXAAZAPPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c1-2-5-18-8-12-9-20-13(10-19-12)21-6-3-11(4-7-21)14(15,16)17/h3,9-10,18H,2,4-8H2,1H3.
What are the key properties of N-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine?
N-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 300.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107380965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).