1-(3-methylpyrazin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine

C14H21F3N4 — CID 102612473

IUPAC1-(3-methylpyrazin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCc1nccnc1C(C)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C14H21F3N4/c1-10-13(19-5-4-18-10)11(2)20-7-12-3-6-21(8-12)9-14(15,16)17/h4-5,11-12,20H,3,6-9H2,1-2H3
InChIKeyPZTRKSNXZGIIPU-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.32
Rot. Bonds5

About 1-(3-methylpyrazin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine

1-(3-methylpyrazin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 102612473) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(3-methylpyrazin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(3-methylpyrazin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID102612473
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name1-(3-methylpyrazin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCc1nccnc1C(C)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C14H21F3N4/c1-10-13(19-5-4-18-10)11(2)20-7-12-3-6-21(8-12)9-14(15,16)17/h4-5,11-12,20H,3,6-9H2,1-2H3
InChIKeyPZTRKSNXZGIIPU-UHFFFAOYSA-N
XLogP2.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrazin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of 1-(3-methylpyrazin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine (CID 102612473) is 1-(3-methylpyrazin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 1-(3-methylpyrazin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for 1-(3-methylpyrazin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine is Cc1nccnc1C(C)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 1-(3-methylpyrazin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is PZTRKSNXZGIIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-10-13(19-5-4-18-10)11(2)20-7-12-3-6-21(8-12)9-14(15,16)17/h4-5,11-12,20H,3,6-9H2,1-2H3.
What are the key properties of 1-(3-methylpyrazin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
1-(3-methylpyrazin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 302.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrazin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 102612473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).