ZMWUHSOEHAXYRC-SLEUVZQESA-N

Name: ZMWUHSOEHAXYRC-SLEUVZQESA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₅F₃N₄O — CID 129115640

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine

SMILESFC(F)(F)c1cnc(Nc2ccc([C@H]3O[C@@H]4CN[C@H]3C4)cc2)cn1

InChIInChI=1S/C16H15F3N4O/c17-16(18,19)13-7-22-14(8-21-13)23-10-3-1-9(2-4-10)15-12-5-11(24-15)6-20-12/h1-4,7-8,11-12,15,20H,5-6H2,(H,22,23)/t11-,12-,15+/m0/s1

InChIKeyZMWUHSOEHAXYRC-SLEUVZQESA-N

MW336.32 g/mol

LogP3.04

Rot. Bonds3

About ZMWUHSOEHAXYRC-SLEUVZQESA-N

ZMWUHSOEHAXYRC-SLEUVZQESA-N (PubChem CID 129115640) has the molecular formula C₁₆H₁₅F₃N₄O and a molecular weight of 336.32 g/mol. Its IUPAC name is N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name	ZMWUHSOEHAXYRC-SLEUVZQESA-N
PubChem CID	129115640
Molecular Formula	C₁₆H₁₅F₃N₄O
Molecular Weight	336.32 g/mol
Exact Mass	336.12
IUPAC Name	N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine
SMILES	FC(F)(F)c1cnc(Nc2ccc([C@H]3O[C@@H]4CN[C@H]3C4)cc2)cn1
InChI	InChI=1S/C16H15F3N4O/c17-16(18,19)13-7-22-14(8-21-13)23-10-3-1-9(2-4-10)15-12-5-11(24-15)6-20-12/h1-4,7-8,11-12,15,20H,5-6H2,(H,22,23)/t11-,12-,15+/m0/s1
InChIKey	ZMWUHSOEHAXYRC-SLEUVZQESA-N
XLogP	3.04
TPSA	59.07 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.32
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ZMWUHSOEHAXYRC-SLEUVZQESA-N?

The IUPAC name of ZMWUHSOEHAXYRC-SLEUVZQESA-N (CID 129115640) is N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine.

What is the SMILES notation for ZMWUHSOEHAXYRC-SLEUVZQESA-N?

The canonical SMILES for ZMWUHSOEHAXYRC-SLEUVZQESA-N is FC(F)(F)c1cnc(Nc2ccc([C@H]3O[C@@H]4CN[C@H]3C4)cc2)cn1.

What is the InChIKey of ZMWUHSOEHAXYRC-SLEUVZQESA-N?

The InChIKey is ZMWUHSOEHAXYRC-SLEUVZQESA-N. The full InChI is InChI=1S/C16H15F3N4O/c17-16(18,19)13-7-22-14(8-21-13)23-10-3-1-9(2-4-10)15-12-5-11(24-15)6-20-12/h1-4,7-8,11-12,15,20H,5-6H2,(H,22,23)/t11-,12-,15+/m0/s1.

What are the key properties of ZMWUHSOEHAXYRC-SLEUVZQESA-N?

ZMWUHSOEHAXYRC-SLEUVZQESA-N has a molecular weight of 336.32 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ZMWUHSOEHAXYRC-SLEUVZQESA-N is sourced from PubChem (CID 129115640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 129115640 — identifiers, structure, computed properties (public domain)

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